SCHEMBL228799

SCHEMBL228799

O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.56
HTR2C P28335 2/20 0.56
HTR7 P34969 2/20 0.56
HTR6 P50406 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 1/20 0.52
DRD2 P14416 4/20 0.52
DRD3 P35462 4/20 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
SCHEMBL10086700 0.97 HTR2A (0.54) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL10086687 0.97 HTR2A (0.53) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL10086696 0.96 HTR2A (0.55) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL10086636 0.96 ALDH1A1 (0.54) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL337835 0.95 HTR2A (0.51) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL1923302 0.95 HTR2A (0.51) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL337834 0.95 HTR2A (0.51) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL1923796 0.92 HTR2A (0.57) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL336995 0.92 HTR2A (0.53) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL336926 0.92 HTR2A (0.57) HTR2AHTR2CHTR7HTR6SMN1; SMN2

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 1/4885HTR2C 3/4885HTR7 22/4885

“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.