SCHEMBL228867

SCHEMBL228867

O=C(CC1CC1)NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3Cl)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.50
DRD3 P35462 15/20 0.50
HPGD P15428 1/20 0.48
DRD2 P14416 6/20 0.47
ACKR3 P25106 1/20 0.45
HSD11B1 P28845 1/20 0.44

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
SCHEMBL1923323 1.00 HTR2A (0.50) HTR2ADRD3HPGDDRD2ACKR3
SCHEMBL228147 0.89 ACKR3 (0.54) HTR2ADRD3HPGDDRD2ACKR3
SCHEMBL228146 0.89 ACKR3 (0.54) HTR2ADRD3HPGDDRD2ACKR3
SCHEMBL230475 0.87 DRD3 (0.60) HTR2ADRD3DRD2
SCHEMBL225949 0.86 HSD11B1 (0.47) HTR2ADRD3DRD2ACKR3HSD11B1
SCHEMBL228931 0.86 DRD2 (0.59) HTR2ADRD3HPGDDRD2
SCHEMBL229290 0.85 DRD3 (0.61) HTR2ADRD3DRD2ACKR3
SCHEMBL227883 0.84 ACKR3 (0.45) HTR2ADRD3DRD2ACKR3
SCHEMBL230816 0.84 HSD11B1 (0.49) HTR2ADRD2ACKR3HSD11B1
SCHEMBL27758351 0.84 HSD11B1 (0.49) HTR2ADRD2ACKR3HSD11B1

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 7 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-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-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 HTR2A 1/4885DRD3 18/4885HPGD 2354/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C HTR2A 1/4885DRD3 18/4885HPGD 2354/4885

“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.