SCHEMBL1934997

SCHEMBL1934997

N#Cc1cc(F)cc(C(=O)N2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.51
SCN9A Q15858 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
GRM5 P41594 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 2/20 0.46
EGLN2 Q96KS0 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MLYCD O95822 1/20 0.44
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 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
SCHEMBL8577314 0.88 SCN5A (0.49) SCN5ASCN9AGRM5HPGDALDH1A1
SCHEMBL12310865 0.77 SCN9A (0.47) SCN5ASCN9AGRM5
SCHEMBL13495499 0.76 KDM4E (0.77) SMN1; SMN2KDM4EHPGDALDH1A1MLYCD
SCHEMBL12569604 0.76 HPGD (0.74) SMN1; SMN2GRM5KDM4EHPGDALDH1A1
SCHEMBL7909422 0.76 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EHPGDALDH1A1MLYCD
SCHEMBL3634940 0.75 HPGD (0.60) SMN1; SMN2HPGDALDH1A1USP2CYP3A4
SCHEMBL31387924 0.75 HPGD (0.68) KDM4EHPGDEGLN2ALDH1A1MLYCD
SCHEMBL31387922 0.75 HPGD (0.68) KDM4EHPGDEGLN2ALDH1A1MLYCD
SCHEMBL505097 0.74 HCAR1 (0.53)
SCHEMBL18734483 0.74 HPGD (0.57) SMN1; SMN2KDM4EHPGDALDH1A1MLYCD

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 11 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

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 SCN5A 1356/4885SCN9A 1141/4885SMN1; SMN2 4510/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 SCN5A 1170/4885SCN9A 1091/4885SMN1; SMN2 4544/4885

“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.