SCHEMBL1936458

SCHEMBL1936458

CC(C)(C)OC(=O)N1CCC(O)(C=Cc2cccnc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.50
NAMPT P43490 5/20 0.48
GPR4 P46093 1/20 0.47
RAB9A P51151 1/20 0.44
GBA1 P04062 1/20 0.43
POLB P06746 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
CYP11B2 P19099 1/20 0.41
KIT P10721 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP3A5 P20815 1/20 0.41
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL2240310 1.00 GPR119 (0.50) GPR119NAMPTGPR4RAB9AGBA1
SCHEMBL2238294 0.86 GPR4 (0.52) GPR119NAMPTGPR4POLBJAK2
SCHEMBL1936691 0.86 GPR4 (0.52) GPR119NAMPTGPR4POLBJAK2
SCHEMBL2243228 0.82 MAPT (0.47) RAB9APOLBCYP11B2CYP3A4
SCHEMBL1936081 0.82 MAPT (0.47) RAB9APOLBCYP11B2CYP3A4
SCHEMBL2629481 0.78 ALDH1A1 (0.60) GPR119NAMPTGBA1POLBCYP3A4
SCHEMBL30017524 0.77 GPR119 (0.54) GPR119NAMPTGBA1POLBJAK2
SCHEMBL26633633 0.77 GPR119 (0.54) GPR119NAMPTGBA1POLBJAK2
SCHEMBL15699616 0.77 GPR119 (0.54) GPR119NAMPTRAB9AGBA1POLB
SCHEMBL4319909 0.76 GPR119 (0.56) GPR119NAMPTCYP3A4

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
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
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO 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 GPR119 460/4885NAMPT 1694/4885GPR4 449/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 GPR119 405/4885NAMPT 1855/4885GPR4 399/4885

“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.