SCHEMBL4100192

SCHEMBL4100192

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.38
CCR5 P51681 3/20 0.37
CYP2D6 P10635 3/20 0.36
TLR2 O60603 2/20 0.35
TLR1 Q15399 2/20 0.35
RORC P51449 3/20 0.35
TACR1 P25103 1/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4101486 0.92 CCR5 (0.38) CASRCCR5CYP2D6RORC
SCHEMBL4101840 0.88 CCR5 (0.39) CASRCCR5CYP2D6RORC
SCHEMBL4104784 0.86 CCR5 (0.41) CCR5TLR2TLR1RORC
SCHEMBL4110113 0.86 CCR5 (0.41) CASRCCR5RORCTACR1
SCHEMBL4112096 0.83 CCR5 (0.38) CCR5TLR2TLR1RORCKDM4E
SCHEMBL16274939 0.83 CCR5 (0.44) CCR5RORC
SCHEMBL4096448 0.82 CCR5 (0.41) CASRCCR5CYP2D6TLR2TLR1
SCHEMBL4110414 0.82 CCR5 (0.43) CCR5CYP2D6TLR2TLR1
SCHEMBL4102673 0.80 CCR5 (0.36) CASRCCR5CYP2D6
SCHEMBL4102670 0.80 CCR5 (0.36) CASRCCR5CYP2D6

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 1/4885CCR5 1050/4885CYP2D6 341/4885

“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.