SCHEMBL8360713

SCHEMBL8360713

Cc1cccc(OCCN(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.67
CHRNA4 P43681 3/20 0.67
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
LTA4H P09960 1/20 0.56
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
MAOB P27338 1/20 0.52
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
DRD3 P35462 1/20 0.51
ESR1 P03372 1/20 0.51
FDPS P14324 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL11983542 0.91 KDM4E (0.57) CHRNB2CHRNA4KDM4EALDH1A1DRD2
SCHEMBL8264812 0.90 CHRNB2 (0.59) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL23074709 0.89 FDPS (0.57) CHRNB2CHRNA4KDM4EALDH1A1DRD2
SCHEMBL12603043 0.88 ALDH1A1 (0.57) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL27465 0.84 DRD2 (0.62) KDM4ELMNADRD2DRD4DRD3
SCHEMBL29381067 0.84 DRD2 (0.62) KDM4ELMNADRD2DRD4DRD3
SCHEMBL13924808 0.82 DRD2 (0.71) CHRNB2CHRNA4KDM4ELMNADRD2
SCHEMBL259394 0.82 KDM4E (0.65) KDM4ELTA4HDRD2DRD4ESR1
SCHEMBL11674802 0.82 DRD2 (0.66) KDM4ELMNADRD2DRD4DRD3
SCHEMBL8264173 0.82 LSS (0.59) CHRNB2CHRNA4KDM4EALDH1A1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3642209-B1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC (US) 2023-11-29 EP disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed
WO-2023007185-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2023-02-02 WO disclosed
WO-2022263548-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS LEAD DISCOVERY CENTER GMBH (DE) 2022-12-22 WO disclosed
EP-4104901-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS Lead Discovery Center GmbH (DE) 2022-12-21 EP disclosed
US-20220119376-A1 TRICYCLIC COMPOUNDS ACTING ON CRBN PROTEINS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-04-21 US disclosed
WO-2021252339-A1 SUBSTITUTED PURINE-2,6-DIONE COMPOUNDS AS KRAS INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2021-12-16 WO disclosed
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 US disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
US-7378423-B2 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2008-05-27 US disclosed
US-7378423-B2 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2008-05-27 US disclosed
WO-2008044144-A2 CHIRAL TETRA-HYDRO BETA-CARBOLIC DERIVATIVES AND APPLICATIONS THEREOF AS ANTIPARASITIC COMPOUNDS UNIVERSITE DE LILLE 2, UNIVERSITÉ DU DROIT ET DE LA SANTÉ (FR) 2008-04-17 WO disclosed
EP-1894932-A1 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidine derivatives and related compounds for the treatment of cancer Japan Tobacco, Inc. (JP) 2008-03-05 EP disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP 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
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO 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-20220119376-A1 TRICYCLIC COMPOUNDS ACTING ON CRBN PROTEINS CRBN, CSNK2A1, CSNK2A2 CHRNB2 1764/4885CHRNA4 3220/4885KDM4E 2387/4885
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 CHRNB2 4816/4885CHRNA4 4815/4885KDM4E 2344/4885
US-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 CHRNB2 272/4885CHRNA4 103/4885KDM4E 2970/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD CHRNB2 4876/4885CHRNA4 4806/4885KDM4E 1105/4885

“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.