SCHEMBL2237928

SCHEMBL2237928

CNCc1ccc(CN2CCC(OC)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.63
▸ LTA4H P09960 2/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ HRH3 Q9Y5N1 4/20 0.46
▸ ACHE P22303 6/20 0.46
▸ BACE1 P56817 5/20 0.46
▸ BCHE P06276 3/20 0.45
▸ CARM1 Q86X55 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ CXCR4 P61073 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42

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 SCHEMBL1936542 0.98 NCF1 (0.61) NCF1LTA4HMEN1KMT2AOPRM1
Hydrochloric Acid SCHEMBL1936024 0.98 NCF1 (0.61) NCF1LTA4HMEN1KMT2AOPRM1
SCHEMBL2237654 0.91 NCF1 (0.55) NCF1LTA4HMEN1KMT2AOPRM1
Hydrochloric Acid SCHEMBL1936923 0.90 NCF1 (0.54) NCF1LTA4HMEN1KMT2AOPRM1
Hydrochloric Acid SCHEMBL1934272 0.90 NCF1 (0.54) NCF1LTA4HMEN1KMT2AOPRM1
SCHEMBL1936810 0.84 NCF1 (0.57) NCF1LTA4HMEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL1936144 0.83 NCF1 (0.56) NCF1LTA4HMEN1KMT2AHRH3
SCHEMBL2238444 0.82 NCF1 (0.60) NCF1LTA4HMEN1KMT2AHRH3
SCHEMBL12082512 0.82 ALDH1A1 (0.56) LTA4HMEN1KMT2AOPRM1OPRK1
SCHEMBL791901 0.82 MEN1 (0.55) LTA4HMEN1KMT2AOPRM1OPRK1

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 10 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
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 277/4885MEN1 231/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NCF1 1606/4885LTA4H 248/4885MEN1 349/4885

“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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