SCHEMBL2904840

SCHEMBL2904840

CC1=CCCN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MC4R P32245 1/20 0.50
ACHE P22303 3/20 0.47
DRD4 P21917 1/20 0.44
BACE1 P56817 2/20 0.43
BCHE P06276 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL19087028 0.84 ALDH1A1 (0.50) SIGMAR1LMNAPOLBACHEDRD4
SCHEMBL6621542 0.81 SIGMAR1 (0.52) SIGMAR1LMNAPOLBMC4RACHE
SCHEMBL19116976 0.79 SIGMAR1 (0.50) SIGMAR1LMNAPOLBMC4RACHE
SCHEMBL19077902 0.78 SIGMAR1 (0.48) SIGMAR1LMNAPOLBMC4RACHE
SCHEMBL10640414 0.77 SIGMAR1 (0.52) SIGMAR1LMNAPOLBMC4RACHE
SCHEMBL5870967 0.76 SIGMAR1 (0.50) SIGMAR1LMNAPOLBMC4RACHE
SCHEMBL10914396 0.76 CYP2D6 (0.47) SIGMAR1LMNAPOLBMC4R
SCHEMBL13400321 0.76 SIGMAR1 (0.46) SIGMAR1LMNAPOLBMC4RACHE
SCHEMBL12612421 0.75 SIGMAR1 (0.48) SIGMAR1LMNAPOLBMC4RACHE
SCHEMBL11136071 0.75 SLC6A1 (0.57) SIGMAR1LMNA

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
EP-4126840-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2023-02-08 EP disclosed
CN-115362151-A Aryl piperidines as monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-18 CN disclosed
EP-3792256-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS Incyte Corporation (US) 2021-03-17 EP disclosed
EP-3129372-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-12-16 EP disclosed
EP-3129372-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-12-16 EP disclosed
EP-3400221-B1 PYRAZOL / IMIDAZOL SUBSTITUTED PYRIDINES AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2020-08-26 EP disclosed
US-10414763-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-09-17 US disclosed
US-10414763-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-09-17 US disclosed
CN-106470993-B The azepine quinazoline inhibitor of Atypical protein kinase C 癌症研究科技有限公司 2019-08-27 CN disclosed
EP-3059239-B1 SULFUR-CONTAINING BICYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2018-06-27 EP disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 US disclosed
EP-1740572-A1 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-10 EP disclosed
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
WO-2005103031-A1 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed
WO-2003047577-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES EISAI CO LTD (JP) 2003-06-12 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-20070027147-A1 Biarylurea derivatives CDK6, CDK4, CCNI SIGMAR1 2868/4885LMNA 3280/4885POLB 891/4885
US-10414763-B2 Azaquinazoline inhibitors of atypical protein kinase C PRKCQ, PRKCA, PRKCZ SIGMAR1 3027/4885LMNA 2699/4885POLB 2645/4885
US-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, GPR119 SIGMAR1 74/4885LMNA 2571/4885POLB 4358/4885
US-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG SIGMAR1 1018/4885LMNA 2488/4885POLB 301/4885

“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.