SCHEMBL337940

SCHEMBL337940

COC1CCC(CCC(=O)NC2CCC(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.49
HTR2A P28223 9/20 0.49
DRD2 P14416 6/20 0.49
HTR1A P08908 1/20 0.49
DRD4 P21917 1/20 0.49
HTR2B P41595 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL338387 1.00 DRD3 (0.49) DRD3HTR2ADRD2HTR1ADRD4
SCHEMBL368779 1.00 DRD3 (0.49) DRD3HTR2ADRD2HTR1ADRD4
SCHEMBL338016 0.93 HTR2A (0.57) DRD3HTR2ADRD2SMN1; SMN2LMNA
SCHEMBL1923796 0.93 HTR2A (0.57) DRD3HTR2ADRD2SMN1; SMN2LMNA
SCHEMBL1923624 0.93 HTR2A (0.57) DRD3HTR2ADRD2SMN1; SMN2LMNA
SCHEMBL336926 0.93 HTR2A (0.57) DRD3HTR2ADRD2SMN1; SMN2LMNA
SCHEMBL1923623 0.93 HTR2A (0.57) DRD3HTR2ADRD2SMN1; SMN2LMNA
SCHEMBL1923798 0.93 HTR2A (0.57) DRD3HTR2ADRD2SMN1; SMN2LMNA
SCHEMBL228726 0.90 HTR2A (0.49) DRD3HTR2ADRD2SMN1; SMN2LMNA
SCHEMBL228725 0.90 HTR2A (0.49) DRD3HTR2ADRD2SMN1; SMN2LMNA

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 6 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
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 DRD3 9/4885HTR2A 1/4885DRD2 6/4885

“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.