SCHEMBL226425

SCHEMBL226425

CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(Cl)s2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 10/20 0.54
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
RECQL P46063 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
SCHEMBL228056 0.85 PTPN2 (0.51) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL3850388 0.83 GPR119 (0.49) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL29188742 0.82 ALDH1A1 (0.61) STSNPC1ALDH1A1MAPTMAPK1
SCHEMBL27758360 0.81 ALDH1A1 (0.40) STSNPC1ALDH1A1MAPTMAPK1
SCHEMBL20601096 0.81 SMN1; SMN2 (0.50) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL22022722 0.81 ALDH1A1 (0.45) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL20615740 0.81 SMN1; SMN2 (0.50) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL20615699 0.81 ALDH1A1 (0.45) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL20601090 0.81 ALDH1A1 (0.45) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL20615702 0.81 SMN1; SMN2 (0.50) STSPTPN2PTPN1PTPN6NPC1

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 STS 4138/4885PTPN2 1574/4885PTPN1 2184/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C STS 4138/4885PTPN2 1574/4885PTPN1 2184/4885

“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.