SCHEMBL735384

SCHEMBL735384

CCCCC1(N(C)C)CC=C(c2[nH]c3ccc(F)cc3c2CCn2ccnc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 8/20 0.37
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
APOL1 O14791 1/20 0.32
SCN9A Q15858 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL735002 0.86 KDM4E (0.35) KDM4ESIGMAR1APOL1
SCHEMBL734216 0.86 APOL1 (0.32) KDM4ESIGMAR1APOL1
SCHEMBL735917 0.84 MPO (0.40) KDM4ESIGMAR1
SCHEMBL733340 0.84 MPO (0.39) KDM4ETLR9TLR8TLR7SIGMAR1
SCHEMBL735906 0.82 OPRM1 (0.41) KDM4EHPGDHSD17B10CYP19A1SCN9A
SCHEMBL734232 0.82 DRD2 (0.33) KDM4EHPGDHSD17B10APOL1
SCHEMBL733818 0.81 KDM4E (0.39) KDM4EHPGDHSD17B10CYP19A1APOL1
SCHEMBL735401 0.79 OPRM1 (0.39) KDM4EHSD17B10
SCHEMBL735825 0.76 KDM4E (0.36) KDM4E
SCHEMBL734386 0.73 OPRM1 (0.36) KDM4ECYP19A1SIGMAR1APOL1

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 KDM4E 2643/4885HPGD 1007/4885HSD17B10 928/4885

“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.