SCHEMBL230476

SCHEMBL230476

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
HTR2A P28223 4/20 0.39
DRD2 P14416 2/20 0.39
GRM2 Q14416 2/20 0.38
WNT3A P56704 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ACHE P22303 1/20 0.37
HTR4 Q13639 1/20 0.37
ACKR3 P25106 1/20 0.36
HTR2C P28335 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRL1 P41146 1/20 0.35

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
SCHEMBL228526 0.91 KCNH2 (0.41) HTR2ADRD2GRM2HTR2CMEN1
SCHEMBL227311 0.86 HTR2C (0.50) HTR2AHTR2CSMN1; SMN2
SCHEMBL229155 0.85 HSD11B1 (0.44) HSD11B1HTR2ADRD2GRM2ACKR3
SCHEMBL228866 0.85 HSD11B1 (0.45) HSD11B1HTR2ADRD2ACKR3HTR2C
SCHEMBL230474 0.84 HSD11B1 (0.41) HSD11B1HTR2ADRD2GRM2WNT3A
SCHEMBL14715667 0.84 HRH1 (0.42) DRD2ACHEHTR4
SCHEMBL225949 0.83 HSD11B1 (0.47) HSD11B1HTR2ADRD2ACKR3HTR2C
SCHEMBL229156 0.83 HSD11B1 (0.47) HSD11B1HTR2ADRD2ACHEHTR4
SCHEMBL228578 0.83 HSD11B1 (0.42) HSD11B1HTR2ADRD2GRM2ACKR3
SCHEMBL228579 0.82 HSD11B1 (0.47) HSD11B1HTR2ADRD2ACKR3HTR2C

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 10 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
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
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO 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.