SCHEMBL2525802

SCHEMBL2525802

O=C(O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.49
MAPK10 P53779 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
ALKBH1 Q13686 1/20 0.46
EPHX2 P34913 1/20 0.46
P2RX7 Q99572 1/20 0.44
CCR2 P41597 5/20 0.44
SRD5A2 P31213 1/20 0.44
FEN1 P39748 1/20 0.44
DBH P09172 1/20 0.43

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
SCHEMBL7506861 0.85 ALDH1A1 (0.43) ALDH1A1PKMCYP3A4CYP2C19GAA
SCHEMBL4484502 0.83 GAA (0.66) ALDH1A1CYP3A4CYP2C19GAATSHR
SCHEMBL4479607 0.78 P2RX7 (0.67) ALDH1A1PKMCYP3A4CYP2C19GAA
SCHEMBL11607380 0.77 KDM4E (0.47) ALDH1A1CYP3A4CYP2C19GAACCR2
SCHEMBL7508385 0.76 ATM (0.69) ALDH1A1PKMCYP3A4CYP2C19GAA
SCHEMBL3165877 0.75 P2RX7 (0.44) ALDH1A1PKMCYP3A4CYP2C19TSHR
SCHEMBL3353651 0.73 KDM4E (0.63) ALDH1A1CYP3A4CYP2C19GAAEGLN1
SCHEMBL2314932 0.72 SCD (0.66)
SCHEMBL2316656 0.72 SCD (0.66)
SCHEMBL16759801 0.72 ALDH1A1 (0.40) ALDH1A1PKMCYP3A4CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US claimed
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 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-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C ALDH1A1 1315/4885PKM 3187/4885CYP3A4 1247/4885

“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.