SCHEMBL733171

SCHEMBL733171

CN(C)C1(Cc2ccccc2)CC=C(c2[nH]c3ccc(F)cc3c2CCn2cnc3ccccc32)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
LMNA P02545 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
IDO1 P14902 2/20 0.33
TACR1 P25103 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
OPRM1 P35372 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
NR3C1 P04150 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
SCHEMBL734232 0.90 DRD2 (0.33) HTTLMNANPC1RAB9ATACR1
SCHEMBL733645 0.87 OPRM1 (0.40) HTTLMNANPC1RAB9ATACR1
SCHEMBL734696 0.84 HTR2A (0.42) OPRM1OGFRL1DRD2HTR2AHTR2C
SCHEMBL733634 0.83 HTR2A (0.43) OPRM1OGFRL1DRD2HTR2AHTR2C
SCHEMBL735825 0.83 KDM4E (0.36) HTTTACR1OPRM1OGFRL1MAPT
SCHEMBL734386 0.82 OPRM1 (0.36) TACR1OPRM1OGFRL1MAPTKDM4E
SCHEMBL735920 0.81 HTT (0.41) HTTLMNAOPRM1OGFRL1TSHR
SCHEMBL735032 0.78 OPRM1 (0.45) OPRM1OGFRL1MAPTHTR2AHTR2C
SCHEMBL734715 0.78 HTT (0.39) HTTLMNASMN1; SMN2OPRM1OGFRL1
SCHEMBL734660 0.74 OPRM1 (0.44) RAB9AOPRM1OGFRL1KDM4EHPGD

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 HTT 247/4885LMNA 1488/4885NPC1 146/4885

“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.