SCHEMBL229175

SCHEMBL229175

CN(C)c1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.63
DRD3 P35462 8/20 0.63
DRD2 P14416 5/20 0.54
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
HTR6 P50406 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 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
SCHEMBL230363 0.88 DRD2 (0.62) HTR2ADRD3DRD2
SCHEMBL229413 0.87 HTR2A (0.58) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL229382 0.87 HTR2A (0.62) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL229383 0.87 HTR2A (0.62) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL229412 0.87 HTR2A (0.58) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL2533090 0.86 SMN1; SMN2 (0.55) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL227504 0.86 SMN1; SMN2 (0.55) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL228757 0.86 DRD2 (0.57) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL2533668 0.86 DRD2 (0.57) HTR2ADRD3DRD2HTR2CHTR7
SCHEMBL229244 0.85 DRD2 (0.60) HTR2ADRD3DRD2

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 3 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.