SCHEMBL227946

SCHEMBL227946

NC1CCC(CCN2CCC(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.48
DRD3 P35462 7/20 0.47
HTR2A P28223 4/20 0.47
KCNH2 Q12809 1/20 0.44
CACNA1I Q9P0X4 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SLC6A12 P48065 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CCR2 P41597 1/20 0.39

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
SCHEMBL230665 0.91 DRD2 (0.48) DRD2DRD3HTR2AKCNH2CACNA1I
SCHEMBL27758351 0.89 HSD11B1 (0.49) DRD2HTR2AALDH1A1POLB
SCHEMBL230816 0.89 HSD11B1 (0.49) DRD2HTR2AALDH1A1POLB
SCHEMBL227475 0.89 DRD3 (0.45) DRD2DRD3HTR2AKCNH2CACNA1I
SCHEMBL229911 0.87 DRD2 (0.54) DRD2DRD3HTR2AALDH1A1
SCHEMBL229910 0.87 DRD2 (0.54) DRD2DRD3HTR2AALDH1A1
SCHEMBL5468238 0.83 KCNH2 (0.56) DRD2HTR2AKCNH2
Hydrochloric Acid SCHEMBL228066 0.82 KCNH2 (0.55) DRD2HTR2AKCNH2
Hydrochloric Acid SCHEMBL228067 0.82 KCNH2 (0.55) DRD2HTR2AKCNH2
SCHEMBL229281 0.80 KCNH2 (0.45) DRD2DRD3HTR2AKCNH2CACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 DRD2 16/4885DRD3 18/4885HTR2A 1/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C DRD2 16/4885DRD3 18/4885HTR2A 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.