SCHEMBL4110226

SCHEMBL4110226

CC(C)(C)[Si](C)(C)OC[C@H]1CNC[C@@H]1c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
SLC6A4 P31645 4/20 0.40
GRK2 P25098 4/20 0.40
SLC6A2 P23975 3/20 0.40
HTR2A P28223 3/20 0.40
HTR2B P41595 3/20 0.40
SLC6A3 Q01959 3/20 0.40
SCN5A Q14524 3/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
TACR1 P25103 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
CACNA1F O60840 1/20 0.40
MPO P05164 1/20 0.40
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL4104919 0.86 CCR5 (0.43) HTR2AHTR2BHTR2CKDM1A
SCHEMBL4102126 0.86 CCR5 (0.43) HTR2AHTR2BHTR2CKDM1A
SCHEMBL4104233 0.86 CCR5 (0.43) HTR2AHTR2BHTR2CKDM1A
SCHEMBL7496126 0.86 CCR5 (0.43) HTR2AHTR2BHTR2CKDM1A
SCHEMBL6104505 0.85 HTR2C (0.42) CYP3A4SLC6A4GRK2SLC6A2HTR2A
SCHEMBL7499691 0.85 HTR2C (0.42) CYP3A4SLC6A4GRK2SLC6A2HTR2A
SCHEMBL4096260 0.82 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL4101479 0.80 HTR2C (0.43) SLC6A4SLC6A2HTR2BSLC6A3HTR1A
SCHEMBL7498178 0.80 THRB (0.30)
SCHEMBL7496731 0.80 THRB (0.30)

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 CYP3A4 637/4885SLC6A4 1148/4885GRK2 547/4885

“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.