SCHEMBL228454

SCHEMBL228454

NCCCCN1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.70
KDM4E B2RXH2 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
HTR2C P28335 3/20 0.67
HTR7 P34969 3/20 0.67
HTR6 P50406 3/20 0.67

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
SCHEMBL9534623 0.99 HTR2A (0.68) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9869610 0.97 HTR2A (0.67) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9396999 0.96 HTR2A (0.69) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL27737572 0.93 HTR2A (0.65) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9229261 0.90 HTR2A (0.72) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL10712477 0.89 HTR2A (0.71) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL10577348 0.89 HTR2A (0.71) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL16481601 0.88 HTR2A (0.71) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL14318600 0.87 HTR2A (0.81) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4981971 0.86 HTR2A (0.67) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0377528-B1 Piperidines, process for their preparation and pharmaceutical compounds containing them LIPHA (FR) 1993-12-08 EP disclosed
EP-0184258-B1 NOVEL DERIVATIVES OF HYDROXY- OR AMINO-SUBSTITUTED (PIPERIDINYLALKYL)QUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-05-06 EP disclosed
US-5001134-A Piperidines, processes of preparation and medications containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1991-03-19 US disclosed
EP-0377528-A1 Piperidines, process for their preparation and pharmaceutical compounds containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-07-11 EP disclosed
US-4665075-A ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-12 US disclosed
EP-0184258-A2 Novel derivatives of hydroxy- or amino-substituted (piperidinylalkyl)quinazolines JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 EP 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 HTR2A 1/4885KDM4E 1738/4885CYP1A2 398/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C HTR2A 1/4885KDM4E 1738/4885CYP1A2 398/4885

“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.