SCHEMBL230474

SCHEMBL230474

COCC(C(N)=O)C1CCC(CCN2CCC(C(=O)c3ccc(F)cc3Cl)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
HTR2A P28223 9/20 0.39
DRD2 P14416 3/20 0.39
GRM2 Q14416 3/20 0.39
DRD3 P35462 2/20 0.38
WNT3A P56704 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
HRH2 P25021 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL228524 0.91 KCNH2 (0.42) HTR2ADRD2GRM2DRD3HTR1A
SCHEMBL228578 0.90 HSD11B1 (0.42) HSD11B1HTR2ADRD2GRM2DRD3
SCHEMBL229155 0.87 HSD11B1 (0.44) HSD11B1HTR2ADRD2GRM2DRD3
SCHEMBL228866 0.86 HSD11B1 (0.45) HSD11B1HTR2ADRD2DRD3HTR2C
SCHEMBL227309 0.86 HTR2C (0.50) HTR2AHTR2CHTR7
SCHEMBL14715666 0.84 HRH1 (0.42) HTR2ADRD2DRD3HTR1ADRD4
SCHEMBL230476 0.84 HSD11B1 (0.41) HSD11B1HTR2ADRD2GRM2WNT3A
SCHEMBL2533762 0.82 HSD11B1 (0.48) HSD11B1HTR2ADRD2DRD3HTR2C
SCHEMBL225949 0.81 HSD11B1 (0.47) HSD11B1HTR2ADRD2DRD3HTR2C
SCHEMBL229156 0.81 HSD11B1 (0.47) HSD11B1HTR2ADRD2DRD3HTR2C

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-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
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 HSD11B1 4592/4885HTR2A 1/4885DRD2 16/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C HSD11B1 4592/4885HTR2A 1/4885DRD2 16/4885

“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.