SCHEMBL1936810

SCHEMBL1936810

CNCc1ccc(CN2CC(OC)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.57
▸ LTA4H P09960 3/20 0.48
▸ HRH4 Q9H3N8 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ CD274 Q9NZQ7 4/20 0.40
▸ PDCD1 Q15116 3/20 0.40
▸ TLR7 Q9NYK1 2/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ EGLN2 Q96KS0 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ PDCD1LG2 Q9BQ51 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ BACE1 P56817 1/20 0.37

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 SCHEMBL1936144 0.98 NCF1 (0.56) NCF1LTA4HHRH4HRH3CD274
SCHEMBL2237654 0.88 NCF1 (0.55) NCF1LTA4HHRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL1936923 0.86 NCF1 (0.54) NCF1LTA4HHRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL1934272 0.86 NCF1 (0.54) NCF1LTA4HHRH3MEN1KMT2A
SCHEMBL2238444 0.85 NCF1 (0.60) NCF1LTA4HHRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL1934809 0.84 NCF1 (0.59) NCF1LTA4HHRH3MEN1KMT2A
SCHEMBL2237928 0.84 NCF1 (0.63) NCF1LTA4HHRH3TLR7MEN1
Hydrochloric Acid SCHEMBL1936024 0.83 NCF1 (0.61) NCF1LTA4HHRH3TLR7MEN1
Hydrochloric Acid SCHEMBL1936542 0.83 NCF1 (0.61) NCF1LTA4HHRH3TLR7MEN1
SCHEMBL12311 0.81 S1PR1 (0.51) LTA4HHRH4HRH3MEN1KMT2A

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 NCF1 1517/4885LTA4H 277/4885HRH4 12/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NCF1 1606/4885LTA4H 248/4885HRH4 10/4885

“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.

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