SCHEMBL1936038

SCHEMBL1936038

CC1(C)CN=C(c2ccc(CN)cc2)N1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.53
HRH3 Q9Y5N1 1/20 0.43
AKT2 P31751 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ADRB2 P07550 1/20 0.38
NPY5R Q15761 4/20 0.38
ASIC3 Q9UHC3 1/20 0.38
NISCH Q9Y2I1 3/20 0.37
LOXL2 Q9Y4K0 2/20 0.35
CYP2A6 P11509 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
LTA4H P09960 1/20 0.33

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
Hydrochloric Acid SCHEMBL1935836 0.98 AOC3 (0.52) AOC3HRH3AKT2TAAR1ADRB2
SCHEMBL1935927 0.87 AOC3 (0.51) AOC3AKT2TAAR1NISCHLOXL2
Hydrochloric Acid SCHEMBL1936768 0.85 AOC3 (0.50) AOC3AKT2TAAR1NISCHCYP2A6
SCHEMBL4032698 0.80 AOC3 (0.45) AOC3AKT2ADRB2NPY5RNISCH
SCHEMBL5110925 0.75 AOC3 (0.44) AOC3HRH3NPY5R
SCHEMBL1936103 0.74 AOC3 (0.44) AOC3
SCHEMBL1936148 0.72 AOC3 (0.42) AOC3
SCHEMBL2241823 0.72 AOC3 (0.42) AOC3NPY5R
SCHEMBL13175759 0.70 ALDH1A1 (0.54) AOC3NPY5R
SCHEMBL2237521 0.70 AOC3 (0.40) AOC3HRH3NPY5RNISCH

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 9 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
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 AOC3 684/4885HRH3 11/4885AKT2 3381/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 AOC3 757/4885HRH3 11/4885AKT2 3594/4885

“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.