SCHEMBL734664

SCHEMBL734664

Cc1c(C2=CCC(Cc3ccccc3)(N(C)C)CC2)[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
OPRM1 P35372 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
S1PR1 P21453 1/20 0.34
CDK8 P49336 1/20 0.33
NTRK3 Q16288 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CFTR P13569 1/20 0.32
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
GAA P10253 2/20 0.32
ALOX5 P09917 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
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
SCHEMBL736437 0.89 KMT2A (0.46) OPRM1OGFRL1MEN1KMT2APOLB
SCHEMBL733828 0.86 OPRM1 (0.40) KIF11OPRM1OGFRL1MEN1KMT2A
SCHEMBL735032 0.85 OPRM1 (0.45) OPRM1OGFRL1MAPTGAAALDH1A1
SCHEMBL734846 0.85 KDM4E (0.33) KIF11CYP2C9MEN1KMT2APOLB
SCHEMBL735918 0.84 OPRM1 (0.47) OPRM1OGFRL1MEN1KMT2APOLB
SCHEMBL734201 0.83 OPRM1 (0.43) KIF11OPRM1OGFRL1KDM4ECRHBP
SCHEMBL733731 0.81 OPRM1 (0.41) OPRM1OGFRL1MEN1KMT2A
SCHEMBL735113 0.77 S1PR1 (0.38) KIF11OPRM1OGFRL1CYP2C9MEN1
SCHEMBL3932517 0.74 OPRM1 (0.47) KIF11OPRM1OGFRL1CYP2C9MEN1
Hydrochloric Acid SCHEMBL734199 0.74 OPRM1 (0.46) KIF11OPRM1OGFRL1CYP2C9MEN1

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 3 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 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 KIF11 4521/4885OPRM1 1029/4885OGFRL1 4373/4885

“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.