SCHEMBL229190

SCHEMBL229190

CCOc1ccc(C(=O)NCCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
CCR3 P51677 1/20 0.56
GLA P06280 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTR2A P28223 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
DRD2 P14416 2/20 0.52
HTR1A P08908 1/20 0.52
DRD4 P21917 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD3 P35462 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL227492 0.89 MAPT (0.67) CYP2C9CYP2C19CCR3CYP1A2MEN1
SCHEMBL5471204 0.86 CCR3 (0.72) CCR3HTR2AKDM4ECYP1A2CYP3A4
SCHEMBL11191382 0.82 HTR2A (0.67) CCR3HTR2AKDM4ECYP1A2CYP3A4
SCHEMBL2527157 0.82 CYP2C9 (0.59) CYP2C9CYP2C19HTR2ADRD2HTR1A
SCHEMBL2527159 0.82 CYP2C9 (0.59) CYP2C9CYP2C19HTR2ADRD2HTR1A
SCHEMBL10712804 0.82 HTR2A (0.66) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL10715815 0.81 HTR2A (0.64) HTR2AHTR2CHTR7HTR6
SCHEMBL13904318 0.81 HRH3 (0.73) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4981830 0.80 HTR2A (0.63) CCR3HTR2AKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7414903 0.80 HRH3 (0.71) HTR2AKDM4ECYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP 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
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 CYP2C9 1159/4885CYP2C19 598/4885NPC1 4131/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C CYP2C9 1159/4885CYP2C19 598/4885NPC1 4131/4885

“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.