SCHEMBL8314826

SCHEMBL8314826

Cc1ccc(C(=C2CCNCC2)c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 17/20 0.50
OPRM1 P35372 15/20 0.50
OPRK1 P41145 5/20 0.50
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 2/20 0.43
ABCB11 O95342 1/20 0.43
ADRB1 P08588 1/20 0.39

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
SCHEMBL8316576 0.93 OPRD1 (0.60) OPRD1OPRM1OPRK1MEN1CYP2D6
SCHEMBL21384863 0.91 OPRD1 (0.61) OPRD1OPRM1OPRK1MEN1CYP2D6
SCHEMBL22797697 0.83 OPRD1 (0.48) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5391009 0.82 OPRD1 (0.80) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL10460871 0.79 OPRD1 (0.65) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL2539292 0.79 OPRD1 (0.65) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL8316134 0.79 OPRD1 (0.69) OPRD1OPRM1OPRK1ADRB1
SCHEMBL2457390 0.78 OPRD1 (0.61) OPRD1OPRM1OPRK1CYP2D6KCNH2
Hydrochloric Acid SCHEMBL2310717 0.78 OPRD1 (0.63) OPRD1OPRM1OPRK1KCNH2ABCB11
Bromide SCHEMBL7444095 0.78 OPRD1 (0.63) OPRD1OPRM1OPRK1KCNH2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231551-A1 COMPOSITIONS AND USES THEREOF UNIVERSITY OF VIRGINIA 2020-07-23 US disclosed
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP 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-20200231551-A1 COMPOSITIONS AND USES THEREOF CYP11B2, NQO1, CYP11B1 OPRD1 3337/4885OPRM1 1786/4885OPRK1 2270/4885

“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.