SCHEMBL10065731

SCHEMBL10065731

O=C(N[C@@]1(C(=O)NCc2ccc(Nc3ccc(F)cc3C(F)(F)F)cn2)CCOC1)c1cn[nH]c(=O)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.35
AURKA O14965 4/20 0.35
NAMPT P43490 8/20 0.33
CNR2 P34972 2/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX15 P16050 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL10065730 0.93 CNR2 (0.35) NAMPTCNR2
SCHEMBL9892776 0.93 AURKA (0.37) AURKANAMPTCNR2ALOX15HDAC3
SCHEMBL2808594 0.92 OPRL1 (0.36) OPRL1AURKANAMPTCNR2MAPK3
SCHEMBL10071822 0.91 EPHX2 (0.34) NAMPT
SCHEMBL2805106 0.89 AURKA (0.35) OPRL1AURKACNR2MAPK3MAPK1
SCHEMBL15460053 0.89 OPRL1 (0.34) OPRL1AURKACNR2MAPK3MAPK1
SCHEMBL16270496 0.89 NAMPT (0.33) OPRL1NAMPT
SCHEMBL15460097 0.88 ALOX15 (0.36) OPRL1AURKACNR2MAPK3MAPK1
SCHEMBL2808301 0.88 OPRL1 (0.37) OPRL1CNR2MAPK3MAPK1HDAC3
SCHEMBL2809085 0.87 OPRL1 (0.38) OPRL1CNR2MAPK3MAPK1HDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606043-B1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2014-07-09 EP disclosed
US-20140038977-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-06 US disclosed
WO-2012022794-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 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 (1 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-20140038977-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BDKRB1, BDKRB2, HRH2 OPRL1 141/4885AURKA 2115/4885NAMPT 1413/4885

“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.