SCHEMBL228443

SCHEMBL228443

Cc1nc(-c2cccc(C(N)=O)c2C2CCC(CCN3CCC(C(=O)c4ccc(F)cc4F)CC3)CC2)no1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 2/20 0.41
DRD3 P35462 13/20 0.38
HTR2A P28223 11/20 0.38
DRD2 P14416 7/20 0.38
ACKR3 P25106 1/20 0.36

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
SCHEMBL3964937 0.84 DRD3 (0.39) KCNH2DRD3HTR2ADRD2
SCHEMBL4077344 0.83 IGF1R (0.38) KCNH2DRD3HTR2ADRD2
SCHEMBL228985 0.82 DRD3 (0.39) KCNH2DRD3HTR2ADRD2
SCHEMBL2530941 0.78 MEN1 (0.36) MEN1KMT2AKCNH2DRD3HTR2A
SCHEMBL228444 0.78 DRD3 (0.61) KCNH2DRD3HTR2ADRD2
SCHEMBL229134 0.74 MEN1 (0.47) MEN1KMT2AKCNH2DRD3HTR2A
SCHEMBL2533786 0.74 HTR2A (0.46) MEN1KMT2AKCNH2HTR2ADRD2
SCHEMBL225391 0.73 HTR2A (0.47) KCNH2DRD3HTR2A
SCHEMBL227514 0.73 HTR2A (0.46) MEN1KMT2AKCNH2HTR2ADRD2
SCHEMBL225965 0.73 HTR2A (0.46) MEN1KMT2AKCNH2DRD3HTR2A

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 8 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
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO 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
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO 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 MEN1 3878/4885KMT2A 856/4885KCNH2 933/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C MEN1 3878/4885KMT2A 856/4885KCNH2 933/4885

“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.