SCHEMBL4106153

SCHEMBL4106153

C[C@H](c1cccc2ccccc12)N(C[C@H]1CN(C(=O)c2ccc(Oc3ccc(C(=O)O)cc3)cc2)C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CASR P41180 4/20 0.37
CYP2D6 P10635 3/20 0.36
TLR2 O60603 3/20 0.36
TLR1 Q15399 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL4096448 0.96 CCR5 (0.41) CCR5CASRCYP2D6TLR2TLR1
SCHEMBL4110498 0.90 CASR (0.37) CCR5CASRCYP2D6
SCHEMBL1096960 0.89 CASR (0.41) CCR5CASRCYP2D6TLR2TLR1
SCHEMBL4110414 0.89 CCR5 (0.43) CCR5CYP2D6TLR2TLR1
SCHEMBL4110113 0.87 CCR5 (0.41) CCR5CASR
SCHEMBL4099042 0.85 CCR5 (0.42) CCR5KMT2ACYP2D6TLR2TLR1
SCHEMBL1096965 0.85 CASR (0.39) CCR5CASRCYP2D6
SCHEMBL1096628 0.85 CASR (0.39) CCR5CASRCYP2D6
SCHEMBL1095781 0.84 CCR5 (0.39) CCR5CASRCYP2D6
SCHEMBL4104790 0.83 CCR5 (0.41) CCR5CASRCYP2D6

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 CCR5 1050/4885MEN1 3936/4885KMT2A 3375/4885

“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.