SCHEMBL337834

SCHEMBL337834

CC(=O)NC1CCC(CC(=O)N[C@H]2CC[C@H](CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.51
DRD3 P35462 5/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
DRD2 P14416 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL337835 1.00 HTR2A (0.51) HTR2ADRD3HTR2CHTR7HTR6
SCHEMBL1923302 1.00 HTR2A (0.51) HTR2ADRD3HTR2CHTR7HTR6
SCHEMBL228799 0.95 HTR2A (0.56) HTR2ADRD3HTR2CHTR7HTR6
SCHEMBL224605 0.94 HTR2A (0.57) HTR2ADRD3HTR2CHTR7HTR6
SCHEMBL224604 0.94 HTR2A (0.57) HTR2ADRD3HTR2CHTR7HTR6
SCHEMBL10086700 0.92 HTR2A (0.54) HTR2ADRD3HTR2CHTR7HTR6
SCHEMBL10086687 0.92 HTR2A (0.53) HTR2ADRD3HTR2CHTR7HTR6
SCHEMBL10086636 0.91 ALDH1A1 (0.54) HTR2ADRD3HTR2CHTR7HTR6
SCHEMBL10086696 0.91 HTR2A (0.55) HTR2ADRD3HTR2CHTR7HTR6
SCHEMBL336994 0.90 HTR2A (0.53) HTR2ADRD3HTR2CHTR7HTR6

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-8097637-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US claimed
EP-2185513-B1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2011-06-08 EP claimed
EP-2185513-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2010-05-19 EP claimed
WO-2009019174-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO claimed
US-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2009-02-12 US claimed
US-8097637-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US disclosed
EP-2185513-B1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2009-02-12 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-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR5A HTR2A 1/4885DRD3 9/4885HTR2C 7/4885

“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.