SCHEMBL4303393

SCHEMBL4303393

CCOC1(OCC)CCN([C@H](C)c2ccccc2)[C@H](CO)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.39
OPRK1 P41145 7/20 0.39
OPRM1 P35372 6/20 0.39
OPRL1 P41146 6/20 0.39
CYP2D6 P10635 1/20 0.36
HSD11B1 P28845 2/20 0.35
KCNA3 P22001 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
MC4R P32245 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5772785 1.00 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL15358903 1.00 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL4294409 1.00 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL25429324 1.00 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL7003092 1.00 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL25429321 1.00 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL5837912 0.89 OPRD1 (0.42) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL5837913 0.89 OPRD1 (0.42) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL25844736 0.88 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL25428365 0.85 OPRD1 (0.37) OPRD1OPRK1OPRM1OPRL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163039-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2025-05-22 US disclosed
EP-4452964-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2024-10-30 EP disclosed
WO-2023117681-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-29 WO disclosed
WO-2023117681-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-29 WO disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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 (2 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-20250163039-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER NRAS, KRAS, RB1 OPRD1 658/4885OPRK1 1091/4885OPRM1 734/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ OPRD1 1138/4885OPRK1 1631/4885OPRM1 1837/4885

“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.