SCHEMBL229149

SCHEMBL229149

O=C(NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.54
HTR2A P28223 13/20 0.54
DRD2 P14416 12/20 0.54
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL229244 0.90 DRD2 (0.60) DRD3HTR2ADRD2
SCHEMBL228721 0.90 DRD2 (0.65) DRD3HTR2ADRD2
SCHEMBL229413 0.88 HTR2A (0.58) DRD3HTR2ADRD2HTR2CHTR7
SCHEMBL229412 0.88 HTR2A (0.58) DRD3HTR2ADRD2HTR2CHTR7
SCHEMBL230363 0.87 DRD2 (0.62) DRD3HTR2ADRD2
SCHEMBL228988 0.87 DRD2 (0.58) DRD3HTR2ADRD2
SCHEMBL229382 0.86 HTR2A (0.62) DRD3HTR2ADRD2HTR2CHTR7
SCHEMBL229383 0.86 HTR2A (0.62) DRD3HTR2ADRD2HTR2CHTR7
SCHEMBL225801 0.86 DRD2 (0.57) DRD3HTR2ADRD2
SCHEMBL2529334 0.85 DRD2 (0.59) DRD3HTR2ADRD2HTR2CHTR7

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 10 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
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 (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 DRD3 18/4885HTR2A 1/4885DRD2 16/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C DRD3 18/4885HTR2A 1/4885DRD2 16/4885

“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.