SCHEMBL4100379

SCHEMBL4100379

CC(C)(C)[Si](C)(C)OC[C@H]1CNC[C@@H]1c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.38
KDM1A O60341 1/20 0.36
CHRNB2 P17787 5/20 0.35
CHRNA4 P43681 5/20 0.35
CHRNA3 P32297 3/20 0.34
CHRNB4 P30926 2/20 0.34
CYP3A4 P08684 1/20 0.34
CCR5 P51681 1/20 0.34
CHRNA7 P36544 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRND Q07001 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
SCHEMBL4102126 0.86 CCR5 (0.43) KDM1ACCR5MAPT
SCHEMBL4104233 0.86 CCR5 (0.43) KDM1ACCR5MAPT
SCHEMBL4104919 0.86 CCR5 (0.43) KDM1ACCR5MAPT
SCHEMBL7496126 0.86 CCR5 (0.43) KDM1ACCR5MAPT
SCHEMBL7499691 0.80 HTR2C (0.42) KDM1ACYP3A4ALDH1A1
SCHEMBL6104505 0.80 HTR2C (0.42) KDM1ACYP3A4ALDH1A1
SCHEMBL4110226 0.79 CYP3A4 (0.40) KDM1ACYP3A4ALDH1A1
SCHEMBL4104772 0.78 HTR2C (0.46) KDM1ACHRNB2CHRNA4MAPT
SCHEMBL7498178 0.77 THRB (0.30)
SCHEMBL7496731 0.77 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 CYP2A6 587/4885KDM1A 3301/4885CHRNB2 3906/4885

“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.