SCHEMBL4100465

SCHEMBL4100465

C[C@H](c1cccc2ccccc12)N(C[C@H]1CN(CCCCCC(=O)O)C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.35
CYP2D6 P10635 1/20 0.33
CASR P41180 1/20 0.32
S1PR5 Q9H228 1/20 0.32
HTR7 P34969 4/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
TBXA2R P21731 1/20 0.32
KDM1A O60341 1/20 0.32
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31

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
SCHEMBL4096539 0.93 CCR5 (0.37) CCR5HTR1ADRD2TLR2TLR1
SCHEMBL4101840 0.88 CCR5 (0.39) CCR5CYP2D6CASRTBXA2R
SCHEMBL1096559 0.87 CCR5 (0.41) CCR5
SCHEMBL4101486 0.85 CCR5 (0.38) CCR5CYP2D6CASR
SCHEMBL16274924 0.84 CCR5 (0.33) CCR5CYP2D6CASR
SCHEMBL16274923 0.84 CCR5 (0.33) CCR5CYP2D6CASR
SCHEMBL4110113 0.83 CCR5 (0.41) CCR5CASR
SCHEMBL4104790 0.83 CCR5 (0.41) CCR5CYP2D6CASRDRD2KDM1A
SCHEMBL16275114 0.83 CCR5 (0.41) CCR5CYP2D6CASRDRD2KDM1A
SCHEMBL4104929 0.81 CCR5 (0.42) CCR5KDM1A

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 1050/4885CYP2D6 341/4885CASR 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.