SCHEMBL226185

SCHEMBL226185

Cc1ccc(NC(=O)NC2CCC(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.65
ALDH1A1 P00352 3/20 0.65
LMNA P02545 4/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.56
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
HTR7 P34969 2/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR6 P50406 1/20 0.50
POLB P06746 1/20 0.50
HSD11B1 P28845 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL227108 0.90 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL224604 0.85 HTR2A (0.57) SMN1; SMN2ALDH1A1LMNAHTTDRD3
SCHEMBL224605 0.85 HTR2A (0.57) SMN1; SMN2ALDH1A1LMNAHTTDRD3
SCHEMBL2533090 0.85 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL227504 0.85 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL3079529 0.84 EPHX2 (0.60) SMN1; SMN2RECQLKMT2AMEN1HTR7
SCHEMBL3079526 0.84 EPHX2 (0.60) SMN1; SMN2RECQLKMT2AMEN1HTR7
SCHEMBL227239 0.83 HTR2A (0.55) SMN1; SMN2ALDH1A1LMNAHTTDRD3
SCHEMBL229450 0.83 HTR2A (0.55) SMN1; SMN2ALDH1A1LMNAHTTDRD3
SCHEMBL227209 0.83 HTR2A (0.57) SMN1; SMN2ALDH1A1LMNAHTTDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 3058/4885ALDH1A1 1315/4885LMNA 3403/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C SMN1; SMN2 3058/4885ALDH1A1 1315/4885LMNA 3403/4885

“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.