SCHEMBL4795235

SCHEMBL4795235

COC(=O)[C@@]12CC[C@]1(CO)CN([C@H](C)c1ccccc1)C2O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
CYP3A4 P08684 7/20 0.35
CYP2D6 P10635 4/20 0.35
HIF1A Q16665 1/20 0.35
OPRL1 P41146 2/20 0.35
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRD1 P41143 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
MAPK1 P28482 3/20 0.33
USP2 O75604 2/20 0.33
MAN2A1 Q16706 2/20 0.33
MAN1B1 Q9UKM7 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4795159 0.90 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4796990 0.86 CYP3A4 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2670155 0.72 OPRL1 (0.39) CYP3A4CYP2D6HIF1AOPRL1MAPT
SCHEMBL15728611 0.66 CYP2D6 (0.40) CHRM2CHRM1CYP3A4CYP2D6HIF1A
SCHEMBL2670173 0.64 OPRL1 (0.39) CYP3A4CYP2D6HIF1AOPRL1MAPT
SCHEMBL2670403 0.64 OPRL1 (0.39) CYP3A4CYP2D6OPRL1MAPTCYP2C9
SCHEMBL294397 0.63 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL295789 0.63 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL294398 0.63 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12091646 0.63 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3

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-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 CHRM2 1771/4885CHRM4 2242/4885CHRM5 1578/4885

“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.