SCHEMBL337761

SCHEMBL337761

CCOC1CCC(CC(=O)OC)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
TSHR P16473 3/20 0.32
CYP19A1 P11511 1/20 0.31
NR1H2 P55055 1/20 0.31
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
MGAM O43451 2/20 0.30
GAA P10253 2/20 0.30
SI P14410 2/20 0.30
MGAM2 Q2M2H8 2/20 0.30
HSD17B10 Q99714 1/20 0.30
EPHX2 P34913 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
SCHEMBL337760 1.00 BRD4 (0.39) BRD4TSHRCYP19A1NR1H2DPP4
SCHEMBL337759 1.00 BRD4 (0.39) BRD4TSHRCYP19A1NR1H2DPP4
SCHEMBL337068 0.89 BRD4 (0.41) BRD4TSHRCYP19A1MGAMGAA
SCHEMBL337067 0.89 BRD4 (0.41) BRD4TSHRCYP19A1MGAMGAA
SCHEMBL322205 0.85 BRD4 (0.41) BRD4TSHRNR1H2MGAMGAA
SCHEMBL322204 0.85 BRD4 (0.41) BRD4TSHRNR1H2MGAMGAA
SCHEMBL10086737 0.85 BRD4 (0.41) BRD4TSHRNR1H2MGAMGAA
SCHEMBL322206 0.85 BRD4 (0.41) BRD4TSHRNR1H2MGAMGAA
SCHEMBL25069171 0.81 BRD4 (0.38) BRD4TSHRCYP19A1NR1H2DPP4
SCHEMBL17784017 0.78 BRD4 (0.36) BRD4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097637-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US disclosed
EP-2185513-B1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
EP-2185513-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009019174-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO disclosed
US-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2009-02-12 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-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR5A BRD4 513/4885TSHR 256/4885CYP19A1 2802/4885

“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.