SCHEMBL4100225

SCHEMBL4100225

C[C@@H](NC[C@H]1CN(c2c(F)cc(C(=O)O)cc2F)C[C@@H]1c1cccc(F)c1F)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 20/20 0.47
CYP2A6 P11509 1/20 0.41
CYP2B6 P20813 1/20 0.41

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
SCHEMBL4100229 1.00 CASR (0.47) CASRCYP2A6CYP2B6
SCHEMBL4094584 0.90 CASR (0.49) CASR
SCHEMBL4094590 0.90 CASR (0.49) CASR
Hydrochloric Acid SCHEMBL4112019 0.89 CASR (0.51) CASR
Hydrochloric Acid SCHEMBL4112014 0.89 CASR (0.51) CASR
SCHEMBL1106004 0.88 CASR (0.47) CASR
SCHEMBL1096784 0.88 CASR (0.47) CASR
SCHEMBL4094922 0.86 CASR (0.50) CASRCYP2A6CYP2B6
SCHEMBL4094918 0.86 CASR (0.50) CASRCYP2A6CYP2B6
SCHEMBL1105963 0.84 CASR (0.49) CASR

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-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
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 1/4885CYP2A6 587/4885CYP2B6 739/4885

“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.