SCHEMBL4108113

SCHEMBL4108113

CCN[C@H](CC[C@@H]1CN(C(C)=O)C[C@@H]1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.42
RORC P51449 4/20 0.41
CASR P41180 7/20 0.37
TLR2 O60603 4/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4108109 1.00 CCR5 (0.42) CCR5RORCCASRTLR2CYP2D6
SCHEMBL4102217 0.82 CASR (0.49) CCR5CASRCYP2D6
Hydrochloric Acid SCHEMBL4106149 0.81 CASR (0.49) CASR
Hydrochloric Acid SCHEMBL4100877 0.81 CASR (0.49) CASR
SCHEMBL4094906 0.77 CCR5 (0.43) CCR5RORCCASRCYP2D6
SCHEMBL4104683 0.74 CASR (0.50) CCR5CASRCYP2D6
Hydrochloric Acid SCHEMBL4105841 0.73 CASR (0.47) CASR
SCHEMBL4108104 0.73 CCR5 (0.41) CCR5RORC
SCHEMBL4108105 0.73 CCR5 (0.41) CCR5RORC
Hydrochloric Acid SCHEMBL4102010 0.73 CASR (0.47) 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 1050/4885RORC 1397/4885CASR 1/4885

“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.