SCHEMBL4100788

SCHEMBL4100788

C[C@H](c1cccc2ccccc12)N(C[C@H]1CN(c2ccc(C#N)cc2)C[C@@H]1c1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.44
KCNH2 Q12809 1/20 0.44
CASR P41180 17/20 0.39
EPHX2 P34913 1/20 0.35
POLB P06746 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
SCHEMBL13651309 0.91 GRIA2 (0.41) GRIA2KCNH2CASREPHX2
SCHEMBL4100857 0.91 CASR (0.41) CASR
SCHEMBL4093980 0.87 CCR5 (0.41) EPHX2
SCHEMBL3572894 0.81 CASR (0.35) CASR
SCHEMBL3575203 0.81 CASR (0.35) KCNH2CASR
SCHEMBL13651277 0.80 CASR (0.47) GRIA2KCNH2CASR
SCHEMBL4094906 0.80 CCR5 (0.43) CASR
SCHEMBL4114442 0.77 CCR5 (0.41) CASR
SCHEMBL4106033 0.76 CCR5 (0.40) CASR
SCHEMBL4105648 0.76 CCR5 (0.40) 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 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 GRIA2 1092/4885KCNH2 1996/4885CASR 1/4885

“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.