SCHEMBL4104233

SCHEMBL4104233

CC(C)(C)[Si](C)(C)OC[C@@H]1CNC[C@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.43
TOP2A P11388 1/20 0.36
HTR2C P28335 8/20 0.35
HTR2B P41595 6/20 0.35
HTR2A P28223 4/20 0.35
MAOB P27338 3/20 0.35
KDM1A O60341 2/20 0.35
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
MAOA P21397 1/20 0.34

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 1.00 CCR5 (0.43) CCR5TOP2AHTR2CHTR2BHTR2A
SCHEMBL7496126 1.00 CCR5 (0.43) CCR5TOP2AHTR2CHTR2BHTR2A
SCHEMBL4102126 1.00 CCR5 (0.43) CCR5TOP2AHTR2CHTR2BHTR2A
SCHEMBL4110226 0.86 CYP3A4 (0.40) HTR2CHTR2BHTR2AKDM1A
SCHEMBL4100379 0.86 CYP2A6 (0.38) CCR5KDM1AMAPT
SCHEMBL6104505 0.85 HTR2C (0.42) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL7499691 0.85 HTR2C (0.42) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL4104772 0.83 HTR2C (0.46) HTR2CHTR2BHTR2AKDM1AMAPT
SCHEMBL7498178 0.82 THRB (0.30)
SCHEMBL7496731 0.82 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 3 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

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 1050/4885TOP2A 4700/4885HTR2C 2328/4885

“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.