SCHEMBL228357

SCHEMBL228357

O=C(NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1)c1ccc(N2CCOCC2)nn1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.68
DRD3 P35462 17/20 0.68
PRKAA2 P54646 1/20 0.51
SCD O00767 1/20 0.51
DRD2 P14416 7/20 0.49
HPGDS O60760 1/20 0.47

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
SCHEMBL228356 1.00 HTR2A (0.68) HTR2ADRD3PRKAA2SCDDRD2
SCHEMBL228909 0.88 HTR2A (0.67) HTR2ADRD3PRKAA2DRD2HPGDS
SCHEMBL228910 0.88 HTR2A (0.67) HTR2ADRD3PRKAA2DRD2HPGDS
SCHEMBL229317 0.88 HTR2A (0.69) HTR2ADRD3DRD2HPGDS
SCHEMBL228523 0.87 HTR2A (0.59) HTR2ADRD3PRKAA2DRD2
SCHEMBL225999 0.87 HTR2A (0.59) HTR2ADRD3PRKAA2DRD2
SCHEMBL229741 0.85 HTR2A (0.65) HTR2ADRD3DRD2
SCHEMBL228055 0.85 HTR2A (0.65) HTR2ADRD3DRD2
SCHEMBL227854 0.83 HTR2A (0.67) HTR2ADRD3PRKAA2DRD2HPGDS
SCHEMBL230287 0.82 DRD3 (0.55) HTR2ADRD3DRD2

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-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

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 HTR2A 1/4885DRD3 18/4885PRKAA2 2759/4885

“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.