SCHEMBL229382

SCHEMBL229382

O=C(N[C@H]1CC[C@H](CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.62
DRD3 P35462 11/20 0.62
DRD2 P14416 10/20 0.57
HTR2C P28335 1/20 0.53
HTR7 P34969 1/20 0.53
HTR6 P50406 1/20 0.53
MGLL Q99685 1/20 0.53
HSD11B1 P28845 1/20 0.53
SLC6A12 P48065 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
MCHR1 Q99705 1/20 0.52
SIGMAR1 Q99720 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
SCHEMBL229383 1.00 HTR2A (0.62) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL2529493 0.94 DRD3 (0.56) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL229111 0.94 DRD3 (0.56) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL230363 0.91 DRD2 (0.62) HTR2ADRD3DRD2SLC6A12TMEM97
SCHEMBL229413 0.90 HTR2A (0.58) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL229412 0.90 HTR2A (0.58) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL227108 0.89 SMN1; SMN2 (0.55) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL228991 0.89 DRD3 (0.61) HTR2ADRD3DRD2
SCHEMBL229762 0.89 HTR2A (0.51) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL228927 0.89 HTR2A (0.57) HTR2ADRD3DRD2HTR2CHTR7

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 4 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
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 HTR2A 1/4885DRD3 18/4885DRD2 16/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C HTR2A 1/4885DRD3 18/4885DRD2 16/4885

“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.