SCHEMBL4094847

SCHEMBL4094847

CC(C)(C)[Si](C)(C)OC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.43
S1PR5 Q9H228 4/20 0.41
S1PR1 P21453 3/20 0.41
GRK5 P34947 1/20 0.41
CDK8 P49336 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PDGFRA P16234 1/20 0.41
SLC6A4 P31645 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RORC P51449 1/20 0.39
CHRM4 P08173 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TEAD1 P28347 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
SCHEMBL4106532 1.00 CCR5 (0.43) CCR5S1PR5S1PR1GRK5CDK8
SCHEMBL4106256 0.89 S1PR5 (0.42) CCR5S1PR5S1PR1GRK5CDK8
SCHEMBL4104243 0.88 CCR5 (0.57) CCR5HTR2AHTR2CHTR2BRORC
SCHEMBL6104527 0.88 CCR5 (0.50) CCR5RORC
SCHEMBL6104528 0.88 CCR5 (0.50) CCR5RORC
SCHEMBL4110124 0.80 S1PR5 (0.51) CCR5S1PR5S1PR1GRK5CDK8
SCHEMBL4102054 0.80 S1PR5 (0.51) CCR5S1PR5S1PR1GRK5CDK8
SCHEMBL4107979 0.77 DRD2 (0.41) CCR5S1PR5S1PR1HTR2AHTR2C
SCHEMBL4113187 0.77 CCR5 (0.44) CCR5LMNAMAPTSMN1; SMN2RORC
SCHEMBL4096452 0.76 CCR5 (0.35) CCR5LMNAMAPTSMN1; SMN2HTT

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 1050/4885S1PR5 499/4885S1PR1 427/4885

“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.