SCHEMBL229464

SCHEMBL229464

CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCC(C(=O)c3ccc(Cl)s3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.60
DRD3 P35462 9/20 0.60
KCNA3 P22001 1/20 0.45
ABCB11 O95342 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL229465 1.00 DRD2 (0.60) DRD2DRD3KCNA3ABCB11CHRM2
SCHEMBL227803 0.87 DRD3 (0.53) DRD2DRD3HTR1AHTR2A
SCHEMBL227802 0.87 DRD3 (0.53) DRD2DRD3HTR1AHTR2A
SCHEMBL230259 0.83 DRD2 (0.63) DRD2DRD3KCNA3HTR2AKCNH2
SCHEMBL231216 0.83 DRD2 (0.63) DRD2DRD3KCNA3HTR2AKCNH2
SCHEMBL225045 0.83 DRD2 (0.67) DRD2DRD3KCNA3ABCB11CHRM2
SCHEMBL225046 0.83 DRD2 (0.67) DRD2DRD3KCNA3ABCB11CHRM2
SCHEMBL229140 0.82 DRD2 (0.61) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL229139 0.82 DRD2 (0.61) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL230044 0.81 DRD2 (0.64) DRD2DRD3KCNA3HTR2AKCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DRD2 16/4885DRD3 18/4885KCNA3 436/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C DRD2 16/4885DRD3 18/4885KCNA3 436/4885

“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.