SCHEMBL735401

SCHEMBL735401

CCCCC1(N(C)C)CC=C(c2[nH]c3ccc(F)cc3c2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.39
OPRL1 P41146 5/20 0.39
GHSR Q92847 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GALR3 O60755 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.32
MPO P05164 2/20 0.32
OGFRL1 Q5TC84 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
SCHEMBL733907 0.87 MEN1 (0.38) HTR2AHTR2CMEN1KMT2A
SCHEMBL734534 0.86 OPRM1 (0.39) OPRM1OPRL1HTR2AHTR2CHTR7
SCHEMBL734337 0.86 ALOX5 (0.41) GHSRHTR2AHTR2CHTR7HTR6
SCHEMBL735115 0.85 MEN1 (0.37) MEN1KMT2A
SCHEMBL734846 0.85 KDM4E (0.33) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL735032 0.83 OPRM1 (0.45) OPRM1OPRL1HTR2AHTR2CHTR7
SCHEMBL735917 0.82 MPO (0.40) HTR2AHTR2CKDM4EMPO
SCHEMBL733340 0.82 MPO (0.39) HTR2AHTR2CKDM4ECNR1MPO
SCHEMBL735002 0.80 KDM4E (0.35) KDM4EPOLBHTTMPO
SCHEMBL734216 0.79 APOL1 (0.32) GHSRHTR2AHTR2CKDM4EMPO

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 6 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

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 OPRM1 1029/4885OPRL1 1562/4885GHSR 3724/4885

“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.