SCHEMBL4094944

SCHEMBL4094944

COc1cccc([C@@H](C)NC[C@H]2CN(C(=O)Oc3ccc(C(=O)O)cc3)C[C@@H]2c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.44
CASR P41180 3/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 2/20 0.40
OPRD1 P41143 1/20 0.40
HSD17B2 P37059 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKG1 Q13976 1/20 0.39
POLB P06746 1/20 0.39
GRIN2B Q13224 1/20 0.38
MCHR1 Q99705 3/20 0.38
KCNH2 Q12809 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
FFAR1 O14842 3/20 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
SCHEMBL4094948 1.00 CCR5 (0.44) CCR5CASRPPARGPPARAOPRD1
SCHEMBL4102092 0.94 CCR5 (0.44) CCR5CASRPPARGPPARAOPRD1
Hydrochloric Acid SCHEMBL4111934 0.85 CASR (0.47) CCR5CASRHSD17B2ROCK2PRKG1
SCHEMBL4111691 0.83 CASR (0.49) CASR
SCHEMBL4095414 0.83 CASR (0.49) CASR
SCHEMBL4111944 0.83 CASR (0.49) CASR
SCHEMBL4111949 0.83 CASR (0.49) CASR
SCHEMBL4111696 0.83 CASR (0.49) CASR
SCHEMBL4095416 0.83 CASR (0.49) CASR
Hydrochloric Acid SCHEMBL4105073 0.82 CASR (0.51) 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 CCR5 1050/4885CASR 1/4885PPARG 509/4885

“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.