SCHEMBL4096468

SCHEMBL4096468

C[C@@H](NC[C@H]1CN(C(=O)CCC(C)(C)C(=O)O)C[C@@H]1c1cccc(F)c1)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASR P41180 18/20 0.40
CCR5 P51681 1/20 0.37

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
SCHEMBL4096470 1.00 CASR (0.40) CASRCCR5
SCHEMBL4100646 0.93 CASR (0.43) CASRCCR5
SCHEMBL4100653 0.93 CASR (0.43) CASRCCR5
SCHEMBL4100614 0.86 CASR (0.40) CASR
SCHEMBL4100609 0.86 CASR (0.40) CASR
SCHEMBL1105773 0.85 CASR (0.42) CASRCCR5
SCHEMBL1105781 0.85 CASR (0.42) CASR
Hydrochloric Acid SCHEMBL1096370 0.85 CASR (0.42) CASR
SCHEMBL1105984 0.83 CASR (0.42) CASR
Hydrochloric Acid SCHEMBL1096509 0.82 CASR (0.44) 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
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
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 1/4885CCR5 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.