SCHEMBL229701

SCHEMBL229701

O=C(c1ccc(F)cc1)C1CCN(CCC2CCC(NC(=O)N3CCOCC3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
HTR2A P28223 9/20 0.54
HTR2C P28335 2/20 0.54
HTR7 P34969 2/20 0.54
HTR6 P50406 2/20 0.54
DRD3 P35462 8/20 0.52
DRD2 P14416 5/20 0.52
HTR1A P08908 1/20 0.52
HSD11B1 P28845 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL229700 1.00 ALDH1A1 (0.59) ALDH1A1POLBHTR2AHTR2CHTR7
SCHEMBL229085 0.87 ALDH1A1 (0.58) ALDH1A1POLBHTR2AHTR2CHTR7
SCHEMBL229084 0.87 ALDH1A1 (0.58) ALDH1A1POLBHTR2AHTR2CHTR7
SCHEMBL228670 0.87 HTR2A (0.62) HTR2AHTR2CHTR7HTR6DRD3
SCHEMBL228669 0.87 HTR2A (0.62) HTR2AHTR2CHTR7HTR6DRD3
SCHEMBL225424 0.87 DRD3 (0.49) ALDH1A1POLBHTR2ADRD3DRD2
SCHEMBL228055 0.86 HTR2A (0.65) HTR2ADRD3DRD2HSD11B1
SCHEMBL229741 0.86 HTR2A (0.65) HTR2ADRD3DRD2HSD11B1
SCHEMBL229390 0.85 DRD2 (0.56) ALDH1A1POLBHTR2AHTR2CHTR7
SCHEMBL229391 0.85 DRD2 (0.56) ALDH1A1POLBHTR2AHTR2CHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 ALDH1A1 1315/4885POLB 4078/4885HTR2A 1/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C ALDH1A1 1315/4885POLB 4078/4885HTR2A 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.