SCHEMBL4748535

SCHEMBL4748535

C[C@H](c1ccccc1)N1C[C@]2(C)CC[C@]2(CF)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
OPRL1 P41146 9/20 0.41
OPRM1 P35372 7/20 0.41
OPRD1 P41143 7/20 0.41
OPRK1 P41145 7/20 0.41
MC4R P32245 1/20 0.41
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CCR5 P51681 1/20 0.34

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
SCHEMBL4748592 0.83 CYP2D6 (0.42) CYP2D6OPRL1OPRM1OPRD1OPRK1
SCHEMBL4748532 0.71 HSD11B1 (0.39) CYP2D6OPRL1OPRM1OPRD1OPRK1
SCHEMBL2337932 0.70 CYP2D6 (0.65) CYP2D6OPRL1OPRM1OPRD1OPRK1
SCHEMBL868771 0.70 CYP2D6 (0.50) CYP2D6OPRL1OPRM1OPRD1OPRK1
SCHEMBL868770 0.70 CYP2D6 (0.50) CYP2D6OPRL1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL2330314 0.69 CYP2D6 (0.63) CYP2D6OPRL1OPRM1OPRD1OPRK1
SCHEMBL10568119 0.67 CYP2D6 (0.55) CYP2D6OPRL1OPRM1OPRD1OPRK1
SCHEMBL28219815 0.67 CYP2D6 (0.60) CYP2D6OPRL1OPRM1OPRD1OPRK1
SCHEMBL10819303 0.67 CYP2D6 (0.60) CYP2D6OPRL1OPRM1OPRD1OPRK1
SCHEMBL9009194 0.67 CYP2D6 (0.55) CYP2D6OPRL1OPRM1OPRD1OPRK1

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
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US disclosed
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 (3 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 CYP2D6 44/4885OPRL1 782/4885OPRM1 804/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 CYP2D6 44/4885OPRL1 782/4885OPRM1 804/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 CYP2D6 44/4885OPRL1 782/4885OPRM1 804/4885

“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.