SCHEMBL1497415

SCHEMBL1497415

O=C(NC12CC3CC(C1)C(=O)C(C3)C2)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.54
FAAH O00519 4/20 0.51
CNR2 P34972 3/20 0.51
CNR1 P21554 1/20 0.51
FKBP1A P62942 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX1 P07099 1/20 0.45

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
SCHEMBL1497428 0.89 EPHX2 (0.51) EPHX2FAAHCNR2CNR1FKBP1A
SCHEMBL17787705 0.82 EPHX2 (0.52) EPHX2FAAHCNR2CNR1FKBP1A
SCHEMBL1556682 0.82 EPHX2 (0.52) EPHX2FAAHCNR2CNR1FKBP1A
SCHEMBL13575195 0.82 EPHX2 (0.52) EPHX2FAAHCNR2CNR1FKBP1A
SCHEMBL13575194 0.82 EPHX2 (0.52) EPHX2FAAHCNR2CNR1FKBP1A
SCHEMBL16665110 0.82 EPHX2 (0.53) EPHX2FAAHCNR2CNR1FKBP1A
SCHEMBL1847869 0.81 EPHX2 (0.57) EPHX2MEN1KMT2A
SCHEMBL974457 0.81 EPHX2 (0.51) EPHX2FAAHCNR2CNR1FKBP1A
SCHEMBL10297219 0.81 EPHX2 (0.51) EPHX2FAAHCNR2CNR1FKBP1A
SCHEMBL1497397 0.81 FAAH (0.53) EPHX2FAAHCNR2CNR1FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303845-B1 Bi-and polycyclic substituted isoquinoline and isoquinoline derivatives as rho kinase inhibitors SANOFI SA (FR) 2013-09-18 EP disclosed
EP-2303845-B1 Bi-and polycyclic substituted isoquinoline and isoquinoline derivatives as rho kinase inhibitors SANOFI SA (FR) 2013-09-18 EP disclosed
US-8524737-B2 Bi- and polycyclic substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2013-09-03 US disclosed
US-8524737-B2 Bi- and polycyclic substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2013-09-03 US disclosed
US-8440720-B2 Methods of use of antiviral compounds INFLUMEDIX, INC. (US) 2013-05-14 US disclosed
US-8440720-B2 Methods of use of antiviral compounds INFLUMEDIX, INC. (US) 2013-05-14 US disclosed
US-20110190340-A1 BI- AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
EP-2303845-A2 BI-AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINE DERIVATIVES AS RHO KINASE INHIBITORS Sanofi-Aventis (FR) 2011-04-06 EP disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 US disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 US disclosed
WO-2009156092-A2 BI- AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
WO-2009156092-A2 BI- AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-30 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-20110190340-A1 BI- AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES RHOT2, MYLK2, ROCK2 EPHX2 3115/4885FAAH 4622/4885CNR2 3827/4885
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS MAVS, SLC30A5, HAVCR2 EPHX2 3743/4885FAAH 2661/4885CNR2 3873/4885

“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.