Sugi Predict

Sugi Predict / Compounds / SCHEMBL734760

SCHEMBL734760

SCHEMBL734760

Cc1c(C2=CCC(c3ccccc3)(N(C)C)CC2)n(CC2CO2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.40
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ OPRL1 P41146 12/20 0.34
▸ OPRM1 P35372 10/20 0.34
▸ OPRK1 P41145 2/20 0.33
▸ OGFRL1 Q5TC84 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL734333 0.81 DNM1 (0.49) MEN1LMNAKMT2AMAPT
SCHEMBL3172661 0.77 DHFR (0.39) DHFRMEN1LMNAKMT2AL3MBTL1
SCHEMBL734582 0.76 DHFR (0.42) DHFRMEN1LMNAKMT2AOPRL1
SCHEMBL733850 0.69 OPRM1 (0.40) MEN1KMT2AOPRL1OPRM1OPRK1
SCHEMBL29929686 0.68 DHFR (0.61) DHFRMEN1LMNAKMT2AL3MBTL1
SCHEMBL734169 0.68 OPRM1 (0.57) OPRL1OPRM1OPRK1OGFRL1
SCHEMBL734313 0.68 OPRM1 (0.41) OPRL1OPRM1OPRK1OGFRL1
SCHEMBL4314169 0.67 DNM1 (0.47) LMNAL3MBTL1MAPT
Hydrochloric Acid SCHEMBL735181 0.67 HTR6 (0.43) OPRL1OPRM1OPRK1
SCHEMBL3930913 0.67 HTR6 (0.43) OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 — — EP claimed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 — — US claimed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 — — US claimed
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 — — EP disclosed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 — — US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 — — US disclosed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 — — EP disclosed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 — — 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 (1 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-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 DHFR 243/4885MEN1 2253/4885LMNA 1488/4885

“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.