SCHEMBL4100917

SCHEMBL4100917

CCOC(=O)N1CC(CN[C@H](C)c2cccc3ccccc23)C(c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 17/20 0.47
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2B6 P20813 1/20 0.42

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
SCHEMBL4099293 0.93 CASR (0.47) CASR
SCHEMBL4099302 0.93 CASR (0.47) CASR
SCHEMBL4104683 0.89 CASR (0.50) CASR
Hydrochloric Acid SCHEMBL4111707 0.89 CASR (0.42) CASRCYP2A6CYP2B6
Hydrochloric Acid SCHEMBL4111711 0.89 CASR (0.42) CASRCYP2A6CYP2B6
SCHEMBL4102217 0.88 CASR (0.49) CASR
Hydrochloric Acid SCHEMBL4105841 0.87 CASR (0.47) CASRCYP2A6CYP2B6
Hydrochloric Acid SCHEMBL4100877 0.87 CASR (0.49) CASR
Hydrochloric Acid SCHEMBL4106149 0.87 CASR (0.49) CASR
Hydrochloric Acid SCHEMBL4106160 0.87 CASR (0.42) CASRCYP2A6CYP2B6

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
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 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-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R CASR 1/4885KDM4E 2755/4885POLB 2422/4885

“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.