SCHEMBL228919

SCHEMBL228919

O=C(c1ccc(F)cc1F)C1CCN(CCC2CCC(NC(=O)N3CCCC3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
DRD3 P35462 10/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 9/20 0.45
PRKAB2 O43741 2/20 0.43
PRKAG1 P54619 2/20 0.43
PRKAA2 P54646 2/20 0.43
PRKAA1 Q13131 2/20 0.43
PRKAG3 Q9UGI9 2/20 0.43
PRKAG2 Q9UGJ0 2/20 0.43
PRKAB1 Q9Y478 2/20 0.43
CCR3 P51677 1/20 0.42
ACKR3 P25106 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL225424 0.92 DRD3 (0.49) DRD2ALDH1A1POLBDRD3HTR1A
SCHEMBL225825 0.89 DRD3 (0.54) DRD2DRD3HTR1AHTR2A
SCHEMBL225824 0.89 DRD3 (0.54) DRD2DRD3HTR1AHTR2A
SCHEMBL228555 0.87 DRD3 (0.52) DRD2DRD3HTR2A
SCHEMBL229647 0.87 DRD3 (0.54) DRD2DRD3HTR1AHTR2A
SCHEMBL228712 0.86 HTR2A (0.53) DRD2DRD3HTR2AACKR3
SCHEMBL230493 0.82 DRD2 (0.55) DRD2DRD3HTR2A
SCHEMBL225703 0.82 DRD3 (0.55) DRD2DRD3HTR1AHTR2A
SCHEMBL228991 0.82 DRD3 (0.61) DRD2DRD3HTR2APRKAB2PRKAG1
SCHEMBL225704 0.82 DRD3 (0.55) DRD2DRD3HTR1AHTR2A

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 DRD2 16/4885ALDH1A1 1315/4885POLB 4078/4885

“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.