SCHEMBL337609

SCHEMBL337609

COCC1CCC(CC(=O)NC2CCC(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.48
DRD3 P35462 8/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
ALDH1A1 P00352 1/20 0.46
DRD2 P14416 3/20 0.46
HTR1A P08908 1/20 0.46
DRD4 P21917 1/20 0.46
HTR2B P41595 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL337607 1.00 HTR2A (0.48) HTR2ADRD3SMN1; SMN2LMNAHTT
SCHEMBL337608 1.00 HTR2A (0.48) HTR2ADRD3SMN1; SMN2LMNAHTT
SCHEMBL337028 0.97 DRD3 (0.49) HTR2ADRD3SMN1; SMN2LMNAHTT
SCHEMBL1923273 0.97 DRD3 (0.49) HTR2ADRD3SMN1; SMN2LMNAHTT
SCHEMBL337699 0.97 DRD3 (0.49) HTR2ADRD3SMN1; SMN2LMNAHTT
SCHEMBL1923274 0.97 DRD3 (0.49) HTR2ADRD3SMN1; SMN2LMNAHTT
SCHEMBL10086739 0.97 DRD3 (0.49) HTR2ADRD3SMN1; SMN2LMNAHTT
SCHEMBL1923275 0.97 DRD3 (0.49) HTR2ADRD3SMN1; SMN2LMNAHTT
SCHEMBL1923651 0.97 DRD3 (0.49) HTR2ADRD3SMN1; SMN2LMNAHTT
SCHEMBL337024 0.95 HTR2A (0.53) HTR2ADRD3SMN1; SMN2LMNAHTT

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
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
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 disclosed
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 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 9/4885SMN1; SMN2 2731/4885

“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.