SCHEMBL10441963

SCHEMBL10441963

CC(C)C(c1ccccc1)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.59
SLC6A4 P31645 6/20 0.59
SLC6A3 Q01959 5/20 0.59
CHRM2 P08172 5/20 0.49
SCN1A P35498 3/20 0.49
SCN2A Q99250 3/20 0.49
SCN3A Q9NY46 3/20 0.49
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 2/20 0.41
KCNH2 Q12809 5/20 0.41
KCNA5 P22460 1/20 0.41
LMNA P02545 2/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
CHRM1 P11229 4/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10442252 0.87 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL19332958 0.87 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL19325672 0.87 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL21911297 0.85 SLC6A3 (0.43) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL19002737 0.82 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL17069296 0.79 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL3103040 0.79 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL17069299 0.79 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL3827027 0.78 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
Ammonia Solution, Strong SCHEMBL6267830 0.78 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3CHRM2SCN1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11638717-B2 Complex of nucleic acid medicine and multibranched lipid SHIONOGI & CO., LTD. (JP) 2023-05-02 US disclosed
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-11492352-B2 Arenavirus growth inhibitor comprising polycyclic carbamoylpyridone derivative NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2022-11-08 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
US-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2021-10-14 US disclosed
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2015-03-05 US disclosed
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-02-05 US disclosed
US-8927710-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2015-01-06 US disclosed
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-18 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
US-20130197219-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2013-08-01 US disclosed
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 US disclosed
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 US disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 US disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11492352-B2 Arenavirus growth inhibitor comprising polycyclic carbamoylpyridone derivative LUC7L2, CXCR6, RRP12 SLC6A2 3627/4885SLC6A4 4194/4885SLC6A3 3620/4885
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY PTGDR, PTGDR2, PTGER4 SLC6A2 1699/4885SLC6A4 662/4885SLC6A3 1603/4885
US-11638717-B2 Complex of nucleic acid medicine and multibranched lipid FABP1, POLRMT, SREBF1 SLC6A2 2737/4885SLC6A4 2694/4885SLC6A3 3560/4885
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 SLC6A2 4809/4885SLC6A4 3493/4885SLC6A3 4564/4885
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 SLC6A2 4742/4885SLC6A4 4710/4885SLC6A3 4709/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 SLC6A2 4742/4885SLC6A4 4710/4885SLC6A3 4709/4885
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 SLC6A2 2752/4885SLC6A4 2436/4885SLC6A3 3245/4885
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 SLC6A2 4809/4885SLC6A4 3493/4885SLC6A3 4564/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 SLC6A2 3193/4885SLC6A4 3868/4885SLC6A3 4569/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 SLC6A2 325/4885SLC6A4 99/4885SLC6A3 495/4885
US-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR EP300, CREBBP, HDAC11 SLC6A2 3881/4885SLC6A4 3340/4885SLC6A3 3291/4885
US-20130197219-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 SLC6A2 4424/4885SLC6A4 2491/4885SLC6A3 4230/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS SLC6A2 4853/4885SLC6A4 4876/4885SLC6A3 4779/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS SLC6A2 4853/4885SLC6A4 4876/4885SLC6A3 4779/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS SLC6A2 4853/4885SLC6A4 4876/4885SLC6A3 4779/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.