SCHEMBL4166200

SCHEMBL4166200

CC(C)c1cccc(C2(Cl)CN(C(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.43
OPRL1 P41146 15/20 0.43
OPRD1 P41143 13/20 0.43
OPRK1 P41145 13/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 3/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD1 P21728 1/20 0.39
ADRA1D P25100 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
SCHEMBL4174492 0.82 OPRM1 (0.43) OPRM1OPRL1OPRD1OPRK1NPSR1
SCHEMBL4173900 0.82 OPRL1 (0.56) OPRM1OPRL1OPRD1OPRK1
SCHEMBL6777765 0.79 OPRM1 (0.57) OPRM1OPRL1OPRD1OPRK1CYP2D6
SCHEMBL6895386 0.78 OPRM1 (0.43) OPRM1OPRL1OPRD1OPRK1NPSR1
SCHEMBL6778892 0.74 OPRM1 (0.56) OPRM1OPRL1OPRD1OPRK1NPSR1
SCHEMBL6774471 0.73 OPRK1 (0.48) OPRM1OPRL1OPRD1OPRK1NPSR1
SCHEMBL15797515 0.72 NPSR1 (0.57) OPRM1OPRL1OPRD1OPRK1NPSR1
SCHEMBL6889358 0.71 OPRM1 (0.54) OPRM1OPRL1OPRD1OPRK1NPSR1
SCHEMBL10047375 0.68 NPSR1 (0.61) OPRM1OPRL1OPRD1OPRK1NPSR1
SCHEMBL2656183 0.68 CYP2D6 (0.55) OPRM1OPRL1OPRD1OPRK1NPSR1

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
US-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 US disclosed
US-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 US disclosed
US-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 US disclosed
EP-1957448-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS Pfizer Products Inc. (US) 2008-08-20 EP disclosed
WO-2007060526-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-05-31 WO disclosed
WO-2007060526-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-05-31 WO 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-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS BACE2, BACE1, PMP22 OPRM1 2303/4885OPRL1 1756/4885OPRD1 1338/4885

“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.