SCHEMBL4113187

SCHEMBL4113187

CC(C)(C)[Si](C)(C)OC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.44
RORC P51449 1/20 0.43
GBA1 P04062 1/20 0.41
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
BACE1 P56817 4/20 0.41
DRD4 P21917 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL6104528 0.88 CCR5 (0.50) CCR5RORCGBA1
SCHEMBL6104527 0.88 CCR5 (0.50) CCR5RORCGBA1
SCHEMBL4104243 0.78 CCR5 (0.57) CCR5RORCSIGMAR1
SCHEMBL4107979 0.77 DRD2 (0.41) CCR5RORCGBA1SIGMAR1
SCHEMBL4101097 0.77 ALDH1A1 (0.40) CCR5ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL4106532 0.77 CCR5 (0.43) CCR5RORCLMNAMAPTSMN1; SMN2
SCHEMBL4094847 0.77 CCR5 (0.43) CCR5RORCLMNAMAPTSMN1; SMN2
SCHEMBL4104888 0.76 RORC (0.37) CCR5RORCGBA1DRD4POLB
SCHEMBL4759089 0.76 RORC (0.45) CCR5RORCGBA1ACHESIGMAR1
SCHEMBL7501730 0.75 CCR5 (0.44) CCR5

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 1397/4885GBA1 2653/4885

“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.