SCHEMBL288833

SCHEMBL288833

CC(C)(C)OC(=O)N1CCc2cc(SCCO)ccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
GPR119 Q8TDV5 8/20 0.47
DRD2 P14416 2/20 0.41
CHRM4 P08173 1/20 0.41
HTR7 P34969 1/20 0.41
MPO P05164 1/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
NOTUM Q6P988 3/20 0.39
ESR2 Q92731 1/20 0.39
DRD4 P21917 1/20 0.39
NR1H2 P55055 1/20 0.38

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
SCHEMBL20582975 0.83 RAB9A (0.46) DHODHGPR119MPOBRD4ALDH1A1
SCHEMBL287686 0.81 ALDH1A1 (0.45) DRD2ALDH1A1NOTUMDRD4
SCHEMBL1466633 0.79 DHODH (0.56) DHODHGPR119DRD2CHRM4HTR7
SCHEMBL8200750 0.77 NOTUM (0.64) DHODHGPR119DRD2BRD4ALDH1A1
SCHEMBL3899182 0.77 ESR2 (0.61) DHODHGPR119DRD2CHRM4HTR7
SCHEMBL13691905 0.77 DHODH (0.53) DHODHGPR119MPOBRD4ALDH1A1
SCHEMBL760643 0.76 ABHD6 (0.63) DHODHGPR119DRD2CHRM4HTR7
SCHEMBL8269763 0.76 GPR119 (0.47) DHODHGPR119DRD2CHRM4HTR7
SCHEMBL1058537 0.76 NR1H2 (0.62) DHODHGPR119DRD2CHRM4HTR7
SCHEMBL2005945 0.76 GPR119 (0.47) DHODHGPR119DRD2CHRM4HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427450-A1 GPR 119 MODULATORS Pfizer Inc. (US) 2012-03-14 EP disclosed
EP-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 EP disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 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-20120052130-A1 GPR 119 MODULATORS GPR119, GPR39, GPR65 DHODH 3930/4885GPR119 1/4885DRD2 1614/4885
US-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 DHODH 3699/4885GPR119 1/4885DRD2 1425/4885

“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.