SCHEMBL229810

SCHEMBL229810

CC(=O)OCC(=O)NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
HTR2A P28223 3/20 0.50
HTR2C P28335 3/20 0.50
HTR7 P34969 2/20 0.50
HTR6 P50406 2/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.49
DRD3 P35462 2/20 0.47
DRD4 P21917 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.46
DRD2 P14416 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL229811 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTR2AHTR2CHTR7
SCHEMBL224604 0.87 HTR2A (0.57) SMN1; SMN2LMNAHTR2AHTR2CHTR7
SCHEMBL224605 0.87 HTR2A (0.57) SMN1; SMN2LMNAHTR2AHTR2CHTR7
SCHEMBL28775592 0.86 HTR2C (0.56) SMN1; SMN2LMNAHTR2AHTR2CHTR7
SCHEMBL228799 0.86 HTR2A (0.56) SMN1; SMN2LMNAHTR2AHTR2CHTR7
SCHEMBL337834 0.85 HTR2A (0.51) SMN1; SMN2LMNAHTR2AHTR2CHTR7
SCHEMBL337835 0.85 HTR2A (0.51) SMN1; SMN2LMNAHTR2AHTR2CHTR7
SCHEMBL1923302 0.85 HTR2A (0.51) SMN1; SMN2LMNAHTR2AHTR2CHTR7
SCHEMBL227239 0.85 HTR2A (0.55) SMN1; SMN2LMNAHTR2AHTR2CHTR7
SCHEMBL229450 0.85 HTR2A (0.55) SMN1; SMN2LMNAHTR2AHTR2CHTR7

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 2 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

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 SMN1; SMN2 3058/4885LMNA 3403/4885HTR2A 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.