SCHEMBL213173

SCHEMBL213173

CC(C)(C)OC(=O)N1CCC(CO[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.51
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.45
EPHX1 P07099 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL11924348 0.81 GPR119 (0.49) GPR119HPGDKDM4EPKMRECQL
SCHEMBL796239 0.80 HPGD (0.53) GPR119HPGDKDM4EPKMRECQL
SCHEMBL795969 0.80 HPGD (0.53) GPR119HPGDKDM4EPKMRECQL
SCHEMBL14394505 0.80 FAAH (0.40) GPR119HPGDALDH1A1MAPT
SCHEMBL5190669 0.79 HPGD (0.51) GPR119HPGDKDM4EPKMRECQL
SCHEMBL1715488 0.79 GPR119 (0.52) GPR119HPGDKDM4EPKMRECQL
SCHEMBL3132960 0.79 HPGD (0.54) GPR119HPGDKDM4EPKMRECQL
SCHEMBL371712 0.78 GPR119 (0.55) GPR119HPGDKDM4EPKMRECQL
SCHEMBL15085735 0.78 HPGD (0.57) GPR119HPGDKDM4EPKMRECQL
SCHEMBL4586677 0.78 MMP2 (0.35) GPR119ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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 (1 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 GPR119 2016/4885HPGD 3138/4885KDM4E 952/4885

“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.