SCHEMBL1093376

SCHEMBL1093376

CCC1(O)CC(OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
DPP4 P27487 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
EPHX2 P34913 1/20 0.40
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL20621138 0.85 CTSL (0.45) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL1396193 0.83 OPRM1 (0.49) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL16975554 0.83 OPRM1 (0.49) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL26775766 0.82 CTSL (0.49) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL17516316 0.81 OPRM1 (0.48) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL22594119 0.80 OPRM1 (0.53) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL15927870 0.80 OPRM1 (0.43) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL31570422 0.80 BCHE (0.41) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL1091481 0.79 OPRM1 (0.46) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL19385743 0.79 OPRM1 (0.46) OPRM1OPRL1CTSLCTSBCTSK

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof GENENTECH, INC. (US) 2023-03-28 US disclosed
WO-2022070288-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND 旭化成ファーマ株式会社 2022-04-07 WO disclosed
EP-3860980-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
CN-113166062-A 8-aminoisoquinoline compounds and uses thereof 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
US-8153626-B2 Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-04-10 US disclosed
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS MERCK SHARP & DOHME LLC 2010-12-16 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 (3 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-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS BRS3, BRSK1, BRSK2 OPRM1 663/4885OPRL1 105/4885CTSL 4287/4885
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF PHKG1, MAP4K5, HIPK1 OPRM1 4487/4885OPRL1 3994/4885CTSL 3651/4885
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof PHKG1, MAP4K5, HIPK1 OPRM1 4487/4885OPRL1 3994/4885CTSL 3651/4885

“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.