SCHEMBL4094858

SCHEMBL4094858

COc1cc(C(=O)O)ccc1NC(=O)N1C[C@H](CN[C@H](C)c2cccc3ccccc23)[C@@H](c2cccc(C)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASR P41180 16/20 0.45
GRIN2B Q13224 1/20 0.41
CYP2D6 P10635 2/20 0.39
LPAR1 Q92633 1/20 0.38

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
SCHEMBL4094862 1.00 CASR (0.45) CASRGRIN2BCYP2D6LPAR1
SCHEMBL4111960 0.95 CASR (0.46) CASRCYP2D6
SCHEMBL4111956 0.95 CASR (0.46) CASRCYP2D6
Hydrochloric Acid SCHEMBL4096140 0.94 CASR (0.47) CASRCYP2D6
Hydrochloric Acid SCHEMBL4096135 0.94 CASR (0.47) CASRCYP2D6
SCHEMBL1095980 0.88 CASR (0.46) CASRCYP2D6
Hydrochloric Acid SCHEMBL1096243 0.87 CASR (0.47) CASRCYP2D6
SCHEMBL4105037 0.87 CASR (0.51) CASRCYP2D6
SCHEMBL4105030 0.87 CASR (0.51) CASRCYP2D6
SCHEMBL4105924 0.85 CASR (0.46) CASRCYP2D6

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 7 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 claimed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US claimed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US claimed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 EP claimed
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

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 1/4885GRIN2B 1362/4885CYP2D6 341/4885

“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.