SCHEMBL2127461

SCHEMBL2127461

Cc1cccc(N2CCN(C)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 1.00
HTR3E A5X5Y0 4/20 1.00
HTR3B O95264 4/20 1.00
HTR3D Q70Z44 4/20 1.00
HTR3C Q8WXA8 4/20 1.00
KCNH2 Q12809 2/20 0.57
HRH4 Q9H3N8 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
CYP1A2 P05177 1/20 0.54
THPO P40225 1/20 0.54
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
DRD4 P21917 1/20 0.49
DRD2 P14416 1/20 0.49
HTR6 P50406 1/20 0.49

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
Ammonia Solution, Strong SCHEMBL28472249 0.98 HTR3A (0.96) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5462615 0.87 HTR3E (0.77) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4553876 0.84 HTR3E (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL31415224 0.84 HTR3E (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL1515249 0.84 HTR3E (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6467644 0.82 HTR3E (0.70) HTR3AHTR3EHTR3BHTR3DHTR3C
Ammonia Solution, Strong SCHEMBL28466868 0.82 HTR3E (0.70) HTR3AHTR3EHTR3BHTR3DHTR3C
Ammonia Solution, Strong SCHEMBL28500104 0.82 HTR3E (0.70) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2298133 0.81 HTR3E (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL23707169 0.80 HTR3A (0.67) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 EP disclosed
EP-3521288-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2021-09-08 EP disclosed
EP-3355699-B1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE INC (JP) 2021-03-31 EP disclosed
WO-2021018023-A1 SMALL MOLECULE GLP-1 RECEPTOR MODULATOR 济南泰达领创医药技术有限公司 2021-02-04 WO disclosed
EP-3521288-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2019-08-07 EP disclosed
CN-106132963-B (5, 6-dihydro) pyrimido [4,5-e ] indolizines 荷兰转化研究中心有限责任公司 2019-08-06 CN disclosed
EP-3002284-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2019-05-22 EP disclosed
EP-3261638-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE INC (US) 2019-05-08 EP disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
US-7547711-B2 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-16 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 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 (4 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-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 HTR3A 3451/4885HTR3E 2696/4885HTR3B 3726/4885
US-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 HTR3A 8/4885HTR3E 45/4885HTR3B 15/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 HTR3A 3451/4885HTR3E 2696/4885HTR3B 3726/4885
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 HTR3A 5/4885HTR3E 9/4885HTR3B 6/4885

“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.