SCHEMBL228215

SCHEMBL228215

O=C(Nc1ccc(Cl)cc1)NC1CCC(CCN2CCC(F)(C(=O)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.51
DRD2 P14416 5/20 0.51
HTR2A P28223 3/20 0.51
EPHX2 P34913 4/20 0.50
RECQL P46063 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
EPHX1 P07099 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
FAAH O00519 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
SCHEMBL228979 0.87 NPC1 (0.50) EPHX2RECQLALDH1A1NPC1RAB9A
SCHEMBL227108 0.84 SMN1; SMN2 (0.55) DRD3DRD2HTR2AEPHX2RECQL
SCHEMBL27737767 0.84 DRD3 (0.48) DRD3DRD2HTR2A
SCHEMBL229129 0.81 DRD2 (0.57) DRD3DRD2HTR2AHTR1A
SCHEMBL3069356 0.80 EPHX2 (0.74) DRD3DRD2HTR2AEPHX2RECQL
SCHEMBL3069359 0.80 EPHX2 (0.74) DRD3DRD2HTR2AEPHX2RECQL
SCHEMBL230790 0.78 DRD3 (0.59) DRD3DRD2HTR2AHTR1A
SCHEMBL227461 0.78 DRD3 (0.59) DRD3DRD2HTR2AHTR1A
SCHEMBL229137 0.78 DRD2 (0.42) DRD3DRD2HTR2AHTR7
SCHEMBL228419 0.78 DRD2 (0.42) DRD3DRD2HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384581-B Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE 2013-09-18 CN claimed
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
CN-101384581-A Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE (CH) 2009-03-11 CN 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
CN-101384581-B Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE 2013-09-18 CN disclosed
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
CN-101384581-A Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE (CH) 2009-03-11 CN 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
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 16/4885HTR2A 1/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C DRD3 18/4885DRD2 16/4885HTR2A 1/4885

“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.