SCHEMBL4106348

SCHEMBL4106348

C[C@H](c1cccc2ccccc12)N(C[C@H]1CN(c2c(F)cc(C(=O)O)cc2F)C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.35
CYP2D6 P10635 1/20 0.33
CCR5 P51681 2/20 0.32
TACR1 P25103 2/20 0.32

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
SCHEMBL4108076 0.93 CCR5 (0.34) CASRCCR5TACR1
SCHEMBL1096063 0.93 CASR (0.39) CASRCYP2D6CCR5
SCHEMBL1095412 0.93 CASR (0.39) CASRCYP2D6CCR5TACR1
SCHEMBL1097482 0.88 CASR (0.38) CASR
SCHEMBL1096312 0.87 CASR (0.36) CASRCCR5
SCHEMBL1096442 0.87 CASR (0.36) CASRCCR5TACR1
SCHEMBL1095567 0.84 CASR (0.36) CASRCCR5
SCHEMBL1096395 0.84 ESR1 (0.34) CASRCCR5
SCHEMBL1094613 0.84 ESR1 (0.34) CASRCCR5TACR1
SCHEMBL4096448 0.83 CCR5 (0.41) CASRCYP2D6CCR5

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 1/4885CYP2D6 341/4885CCR5 1050/4885

“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.