SCHEMBL225424

SCHEMBL225424

O=C(c1ccc(F)cc1F)C1CCN(CCC2CCC(NC(=O)N3CCOCC3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 16/20 0.49
HTR2A P28223 15/20 0.49
DRD2 P14416 3/20 0.49
HTR1A P08908 1/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 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
SCHEMBL228919 0.92 DRD2 (0.52) DRD3HTR2ADRD2HTR1AMEN1
SCHEMBL225825 0.88 DRD3 (0.54) DRD3HTR2ADRD2HTR1A
SCHEMBL225824 0.88 DRD3 (0.54) DRD3HTR2ADRD2HTR1A
SCHEMBL229700 0.87 ALDH1A1 (0.59) DRD3HTR2ADRD2HTR1AALDH1A1
SCHEMBL229701 0.87 ALDH1A1 (0.59) DRD3HTR2ADRD2HTR1AALDH1A1
SCHEMBL227074 0.85 HTR2A (0.65) DRD3HTR2ADRD2
SCHEMBL229647 0.85 DRD3 (0.54) DRD3HTR2ADRD2HTR1A
SCHEMBL229289 0.85 HTR2A (0.57) DRD3HTR2ADRD2
SCHEMBL229296 0.85 HTR2A (0.57) DRD3HTR2ADRD2
SCHEMBL229030 0.85 HTR2A (0.57) DRD3HTR2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 US claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 18/4885HTR2A 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.