SCHEMBL228311

SCHEMBL228311

COC(=O)[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GFER P55789 1/20 0.38
BTK Q06187 1/20 0.37
DRD2 P14416 2/20 0.37
GAA P10253 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
ACACB O00763 4/20 0.36
ACACA Q13085 3/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL228310 1.00 EPHX1 (0.41) EPHX1KMT2AMEN1ALDH1A1TSHR
SCHEMBL10169373 0.91 EPHX1 (0.46) EPHX1KMT2AMEN1ALDH1A1TSHR
SCHEMBL22034828 0.91 EPHX1 (0.43) EPHX1KMT2AMEN1ALDH1A1TSHR
SCHEMBL10169374 0.91 EPHX1 (0.46) EPHX1KMT2AMEN1ALDH1A1TSHR
SCHEMBL20066214 0.89 EPHX1 (0.39) EPHX1KMT2AMEN1ALDH1A1TSHR
SCHEMBL22815165 0.87 EPHX1 (0.37) EPHX1KMT2AMEN1ALDH1A1TSHR
SCHEMBL31510029 0.86 BTK (0.48) EPHX1KMT2AMEN1ALDH1A1TSHR
SCHEMBL22035058 0.85 EPHX1 (0.46) EPHX1KMT2AMEN1ALDH1A1TSHR
SCHEMBL28987783 0.85 EPHX1 (0.49) EPHX1KMT2AMEN1ALDH1A1TSHR
SCHEMBL22815154 0.82 ACACB (0.35) EPHX1KMT2AMEN1ALDH1A1TSHR

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 EPHX1 2182/4885KMT2A 856/4885MEN1 3878/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C EPHX1 2182/4885KMT2A 856/4885MEN1 3878/4885

“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.