SCHEMBL2239008

SCHEMBL2239008

CN1CCCC(OC2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
GPR119 Q8TDV5 10/20 0.48
EPHX1 P07099 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 1/20 0.44
CYP2D6 P10635 1/20 0.43
HTT P42858 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
SCHEMBL1934472 0.93 GPR119 (0.51) HPGDGPR119EPHX1SMN1; SMN2RECQL
SCHEMBL21456062 0.87 HPGD (0.58) HPGDGPR119EPHX1SMN1; SMN2RECQL
SCHEMBL2773515 0.85 EPHX1 (0.61) HPGDGPR119EPHX1SMN1; SMN2RECQL
SCHEMBL13128796 0.85 GPR119 (0.54) HPGDGPR119EPHX1SMN1; SMN2RECQL
SCHEMBL15015360 0.84 EPHX1 (0.54) HPGDGPR119EPHX1SMN1; SMN2RECQL
SCHEMBL2770208 0.83 GPR119 (0.61) HPGDGPR119EPHX1SMN1; SMN2RECQL
SCHEMBL31543231 0.82 GPR119 (0.54) HPGDGPR119EPHX1SMN1; SMN2RECQL
SCHEMBL31482200 0.81 HPGD (0.47) HPGDGPR119EPHX1SMN1; SMN2RECQL
SCHEMBL1934050 0.81 SMN1; SMN2 (0.48) SMN1; SMN2CYP2D6HTT
SCHEMBL31561531 0.80 GPR119 (0.52) HPGDGPR119EPHX1RECQL

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 7 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-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
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 HPGD 540/4885GPR119 460/4885EPHX1 680/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HPGD 577/4885GPR119 405/4885EPHX1 650/4885

“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.