SCHEMBL229975

SCHEMBL229975

COc1cc(C(=O)NC2CCC(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)ccc1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.49
DRD3 P35462 7/20 0.48
HTR2A P28223 6/20 0.48
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR7 P34969 3/20 0.46
WNT3A P56704 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
HTR1A P08908 2/20 0.45
DRD4 P21917 1/20 0.45
HTR2B P41595 1/20 0.45
ACHE P22303 1/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL228988 0.85 DRD2 (0.58) DRD2DRD3HTR2A
SCHEMBL229095 0.83 HTR2A (0.67) DRD2DRD3HTR2AWNT3ATNKS2
SCHEMBL230363 0.81 DRD2 (0.62) DRD2DRD3HTR2A
SCHEMBL225801 0.78 DRD2 (0.57) DRD2DRD3HTR2AHTR1A
SCHEMBL229976 0.77 HTR2C (0.42) HTR2ACYP2D6CYP2C19
SCHEMBL229244 0.77 DRD2 (0.60) DRD2DRD3HTR2ADRD4
SCHEMBL229450 0.77 HTR2A (0.55) DRD2DRD3HTR2ACYP2D6CYP2C19
SCHEMBL227239 0.77 HTR2A (0.55) DRD2DRD3HTR2ACYP2D6CYP2C19
SCHEMBL2527157 0.77 CYP2C9 (0.59) DRD2DRD3HTR2ACYP2C19HTR7
SCHEMBL225948 0.77 HTR2A (0.60) DRD2DRD3HTR2AHTR7PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 US claimed
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-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 US disclosed
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
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 (2 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-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR2C DRD2 16/4885DRD3 18/4885HTR2A 1/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C DRD2 16/4885DRD3 18/4885HTR2A 1/4885

“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.