SCHEMBL18065746

SCHEMBL18065746

CC1(c2cccs2)CCC2(OCCc3c2[nH]c2ccccc32)C(N)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.42
OGFRL1 Q5TC84 12/20 0.42
OPRL1 P41146 8/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
LPAR1 Q92633 1/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL18065745 0.88 OPRM1 (0.46) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL10038876 0.73 OPRM1 (0.71) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL158960 0.73 OPRM1 (0.71) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL380587 0.72 OPRM1 (0.72) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2436154 0.70 OPRM1 (0.54) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2435568 0.68 OPRM1 (0.67) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL4765365 0.68 OPRM1 (0.63) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL11871001 0.68 ALDH1A1 (0.42) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL15391670 0.67 OPRM1 (0.66) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2436358 0.67 OPRM1 (0.66) OPRM1OGFRL1OPRL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160271107-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2016-09-22 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-20160271107-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency TACR2, OPRK1, OPRD1 OPRM1 8/4885OGFRL1 307/4885OPRL1 12/4885

“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.