SCHEMBL10066086

SCHEMBL10066086

O=C(N[C@@]1(C(=O)NCc2ncc(Nc3ccc(Cl)cc3C(F)(F)F)cc2Cl)CCOC1)c1cn[nH]c(=O)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.36
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
RAB9A P51151 2/20 0.33
CYP2D6 P10635 1/20 0.33
P2RX7 Q99572 2/20 0.32
TP53 P04637 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CNR1 P21554 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15460097 0.94 ALOX15 (0.36) CNR2P2RX7ALOX15CNR1
SCHEMBL10065662 0.94 CNR2 (0.34) CNR2CYP1A2CYP2C19RAB9ACYP2D6
SCHEMBL10071820 0.91 EPHX2 (0.33) CNR2P2RX7
SCHEMBL10065730 0.90 CNR2 (0.35) CNR2CYP1A2CYP2C19RAB9ACYP2D6
SCHEMBL16270497 0.90 ANO1 (0.32) CNR2CYP2C19CYP2D6P2RX7CYP2C9
SCHEMBL2809026 0.89 CNR2 (0.37) CNR2CYP1A2CYP2C19RAB9ACYP2D6
SCHEMBL2805120 0.88 CNR2 (0.38) CNR2CYP1A2CYP2C19RAB9ACYP2D6
SCHEMBL2811468 0.88 CNR2 (0.37) CNR2CYP1A2CYP2C19RAB9ACYP2D6
SCHEMBL185858 0.88 CNR2 (0.37) CNR2CYP1A2CYP2C19RAB9ACYP2D6
SCHEMBL15460053 0.88 OPRL1 (0.34) CNR2P2RX7ALOX15

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 CNR2 76/4885CYP1A2 508/4885CYP2C19 384/4885

“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.