SCHEMBL227239

SCHEMBL227239

COC(=O)NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.55
HTR2C P28335 3/20 0.55
HTR7 P34969 2/20 0.55
HTR6 P50406 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
DRD2 P14416 4/20 0.52
DRD3 P35462 3/20 0.52
ALDH1A1 P00352 1/20 0.51
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 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
SCHEMBL229450 1.00 HTR2A (0.55) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL227036 0.91 DRD2 (0.58) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL227037 0.91 DRD2 (0.58) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL224604 0.89 HTR2A (0.57) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL224605 0.89 HTR2A (0.57) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL227310 0.87 DRD3 (0.61) HTR2AHTR2CDRD2DRD3HTR1A
SCHEMBL227208 0.87 HTR2A (0.57) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL227209 0.87 HTR2A (0.57) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL14828504 0.87 HTR2A (0.57) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL228757 0.86 DRD2 (0.57) HTR2AHTR2CHTR7HTR6DRD2

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-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 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 HTR2A 1/4885HTR2C 3/4885HTR7 22/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C HTR2A 1/4885HTR2C 3/4885HTR7 22/4885

“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.