SCHEMBL4101479

SCHEMBL4101479

CC(C)(C)[Si](C)(C)OC[C@H]1CNC[C@@H]1c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
HTR2B P41595 2/20 0.43
KDM1A O60341 3/20 0.35
KDM1B Q8NB78 1/20 0.35
TOP2A P11388 1/20 0.32
SSTR4 P31391 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
EHMT2 Q96KQ7 2/20 0.31
IDO1 P14902 1/20 0.30
CDC42BPA Q5VT25 1/20 0.30
PBK Q96KB5 1/20 0.30
SRPK1 Q96SB4 1/20 0.30
HTR1A P08908 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A3 Q01959 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL4104233 0.82 CCR5 (0.43) HTR2CHTR2BKDM1ATOP2A
SCHEMBL4102126 0.82 CCR5 (0.43) HTR2CHTR2BKDM1ATOP2A
SCHEMBL4104919 0.82 CCR5 (0.43) HTR2CHTR2BKDM1ATOP2A
SCHEMBL7496126 0.82 CCR5 (0.43) HTR2CHTR2BKDM1ATOP2A
SCHEMBL4110226 0.80 CYP3A4 (0.40) HTR2CHTR2BKDM1AHTR1ASLC6A2
SCHEMBL7499691 0.78 HTR2C (0.42) HTR2CHTR2BKDM1AIDO1HTR1A
SCHEMBL6104505 0.78 HTR2C (0.42) HTR2CHTR2BKDM1AIDO1HTR1A
SCHEMBL4104813 0.76 ALOX5 (0.32) TOP2A
SCHEMBL4100379 0.74 CYP2A6 (0.38) KDM1ACHRNB2CHRNA4
SCHEMBL4104772 0.74 HTR2C (0.46) HTR2CHTR2BKDM1ACHRNB2CHRNA4

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 HTR2C 2328/4885HTR2B 2231/4885KDM1A 3301/4885

“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.