SCHEMBL2238294

SCHEMBL2238294

CC(C)(C)OC(=O)N1CCC(O)(/C=C/c2ccncc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 1/20 0.52
GPR119 Q8TDV5 5/20 0.46
NAMPT P43490 9/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP2C9 P11712 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
SCHEMBL1936691 1.00 GPR4 (0.52) GPR4GPR119NAMPTJAK2JAK1
SCHEMBL1936458 0.86 GPR119 (0.50) GPR4GPR119NAMPTJAK2JAK1
SCHEMBL2240310 0.86 GPR119 (0.50) GPR4GPR119NAMPTJAK2JAK1
SCHEMBL1934180 0.80 JUN (0.41) HIF1ACYP2C9
SCHEMBL2236218 0.80 JUN (0.41) HIF1ACYP2C9
SCHEMBL27402263 0.79 MAPT (0.46) GPR4GPR119CYP11B2
SCHEMBL25458288 0.78 GPR119 (0.50) GPR119NAMPTJAK2JAK1HIF1A
SCHEMBL23647585 0.77 JAK2 (0.48) GPR119NAMPTJAK2JAK1HIF1A
SCHEMBL16980139 0.77 USP2 (0.49) GPR4GPR119
SCHEMBL1532755 0.77 GPR119 (0.55) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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 (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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 GPR4 449/4885GPR119 460/4885NAMPT 1694/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 GPR4 399/4885GPR119 405/4885NAMPT 1855/4885

“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.