SCHEMBL226179

SCHEMBL226179

CC(C)(C)OC(=O)NCC1CC1CN1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.47
DRD2 P14416 4/20 0.47
HTR2C P28335 8/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL226180 1.00 HTR2A (0.47) HTR2ADRD2HTR2CSMN1; SMN2LMNA
SCHEMBL5047556 0.93 HTR2C (0.48) HTR2ADRD2HTR2CSMN1; SMN2LMNA
SCHEMBL228270 0.80 MGLL (0.47) HTR2ADRD2HTR2CSMN1; SMN2LMNA
SCHEMBL228271 0.80 MGLL (0.47) HTR2ADRD2HTR2CSMN1; SMN2LMNA
SCHEMBL228723 0.80 MGLL (0.54) HTR2AHTR2CSMN1; SMN2LMNAHTT
SCHEMBL228722 0.80 MGLL (0.54) HTR2AHTR2CSMN1; SMN2LMNAHTT
SCHEMBL230687 0.80 HTR2A (0.56) HTR2ADRD2HTR2CHTR7HTR6
SCHEMBL226313 0.79 HTR2A (0.57) HTR2ADRD2HTR2CSMN1; SMN2LMNA
SCHEMBL226312 0.79 HTR2A (0.57) HTR2ADRD2HTR2CSMN1; SMN2LMNA
SCHEMBL229429 0.77 SMN1; SMN2 (0.55) HTR2AHTR2CSMN1; SMN2LMNAHTT

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 HTR2A 1/4885DRD2 16/4885HTR2C 3/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C HTR2A 1/4885DRD2 16/4885HTR2C 3/4885

“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.