SCHEMBL227461

SCHEMBL227461

COCCC(=O)NC1CCC(CCN2CCC(F)(C(=O)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.59
DRD2 P14416 15/20 0.59
HTR1A P08908 3/20 0.59
DRD4 P21917 3/20 0.59
HTR2B P41595 3/20 0.59
HTR2A P28223 17/20 0.56
HTR2C P28335 2/20 0.54
DRD1 P21728 1/20 0.54

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
SCHEMBL230790 1.00 DRD3 (0.59) DRD3DRD2HTR1ADRD4HTR2B
SCHEMBL227310 0.84 DRD3 (0.61) DRD3DRD2HTR1ADRD4HTR2B
SCHEMBL27737767 0.84 DRD3 (0.48) DRD3DRD2HTR2A
SCHEMBL229129 0.83 DRD2 (0.57) DRD3DRD2HTR1AHTR2A
SCHEMBL3080642 0.80 DRD3 (0.61) DRD3DRD2HTR1ADRD4HTR2B
SCHEMBL14715626 0.80 DRD3 (0.61) DRD3DRD2HTR1ADRD4HTR2B
SCHEMBL228979 0.78 NPC1 (0.50) HTR1A
SCHEMBL227460 0.78 DRD2 (0.38) DRD3DRD2HTR1ADRD4HTR2B
SCHEMBL228215 0.78 DRD3 (0.51) DRD3DRD2HTR1AHTR2A
SCHEMBL228419 0.78 DRD2 (0.42) DRD3DRD2HTR2BHTR2AHTR2C

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 DRD3 18/4885DRD2 16/4885HTR1A 6/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C DRD3 18/4885DRD2 16/4885HTR1A 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.