SCHEMBL2902193

SCHEMBL2902193

COCC1CN(C(=O)OC(C)(C)C)CCC1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.44
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.42
NR1H2 P55055 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39

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
SCHEMBL31391778 0.90 HPGD (0.44) PDE4BHPGDALDH1A1MAPTMEN1
SCHEMBL2347328 0.89 ALDH1A1 (0.40) PDE4BHPGDALDH1A1MAPTMEN1
SCHEMBL30456513 0.88 NR1H2 (0.49) PDE4BHPGDALDH1A1MAPTMEN1
SCHEMBL23527255 0.87 HPGD (0.47) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL23527242 0.87 HPGD (0.47) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL23527243 0.87 HPGD (0.47) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL19958826 0.87 HPGD (0.47) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL23527253 0.87 HPGD (0.47) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL23600144 0.87 HPGD (0.47) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL2347790 0.85 HPGD (0.46) HPGDALDH1A1MAPTMEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604964-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
EP-2925749-B1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-13 US disclosed
EP-2925749-A1 DIHYDROPYRAZOLE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-10-07 EP disclosed
WO-2014078611-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 WO disclosed
WO-2011062885-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2011-05-26 WO disclosed
EP-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 US disclosed
EP-2010506-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007122103-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 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-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR65, GPR35 PDE4B 234/4885HPGD 791/4885ALDH1A1 1408/4885
US-20070249589-A1 Novel diazepan derivatives CCR3, CCR1, CCR10 PDE4B 1100/4885HPGD 2904/4885ALDH1A1 2871/4885

“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.