SCHEMBL4094852

SCHEMBL4094852

COC(=O)c1ccc(C(=O)N2C[C@H](CN[C@H](C)c3cccc4ccccc34)[C@@H](c3ccccc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.51
CYP2D6 P10635 2/20 0.47
CCR5 P51681 5/20 0.43
TLR2 O60603 1/20 0.42

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
SCHEMBL4094857 1.00 CASR (0.51) CASRCYP2D6CCR5TLR2
SCHEMBL4106266 0.94 CASR (0.49) CASRCYP2D6CCR5
SCHEMBL1097020 0.92 CASR (0.49) CASRCYP2D6CCR5
SCHEMBL1097022 0.92 CASR (0.49) CASRCYP2D6
Hydrochloric Acid SCHEMBL4106570 0.91 CASR (0.54) CASRCYP2D6CCR5
Hydrochloric Acid SCHEMBL4094845 0.88 CASR (0.50) CASRCYP2D6CCR5
SCHEMBL4111924 0.88 CYP2D6 (0.54) CASRCYP2D6CCR5TLR2
SCHEMBL4111919 0.88 CYP2D6 (0.54) CASRCYP2D6CCR5TLR2
SCHEMBL4110149 0.87 CASR (0.46) CASRCYP2D6CCR5TLR2
SCHEMBL4110156 0.87 CASR (0.46) CASRCYP2D6CCR5TLR2

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.