SCHEMBL228865

SCHEMBL228865

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.51
RBBP4 Q09028 1/20 0.51
SUZ12 Q15022 1/20 0.51
EZH2 Q15910 1/20 0.51
AEBP2 Q6ZN18 1/20 0.51
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR119 Q8TDV5 6/20 0.44
STS P08842 3/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
MMP13 P45452 2/20 0.43
DPP4 P27487 1/20 0.43
MMP1 P03956 1/20 0.43

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
SCHEMBL31283792 0.86 EED (0.51) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL228221 0.86 EED (0.51) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL3852536 0.84 EED (0.49) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL23012845 0.83 EED (0.59) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL31283813 0.81 EED (0.49) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL226791 0.80 EED (0.54) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL31283549 0.79 EED (0.48) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL10132473 0.79 ALDH1A1 (0.41) ALDH1A1NPC1MAPTHTTL3MBTL1
SCHEMBL2520399 0.79 ALDH1A1 (0.55) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL226425 0.78 STS (0.54) ALDH1A1NPC1MAPTMAPK1HTT

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 EED 2221/4885RBBP4 1056/4885SUZ12 4361/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C EED 2221/4885RBBP4 1056/4885SUZ12 4361/4885

“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.