SCHEMBL1777976

SCHEMBL1777976

COCCn1nc(C(N)=O)cc1CC1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KAT5 Q92993 2/20 0.35
KAT6A Q92794 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
HASPIN Q8TF76 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
HTR6 P50406 1/20 0.35
GCK P35557 1/20 0.35
F10 P00742 2/20 0.34
GRM4 Q14833 5/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KAT7 O95251 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HCAR3 P49019 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32

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
SCHEMBL1778325 0.90 HCAR3 (0.38) CNR1CNR2KAT5KAT6AHTR6
SCHEMBL1777061 0.87 OPRM1 (0.36) OPRM1CNR1CNR2HTR6GCK
SCHEMBL1776723 0.86 FAAH (0.36) CNR1CNR2KAT5KAT6AHTR6
SCHEMBL1776267 0.77 HTR6 (0.38) KAT5KAT6AHTR6GCK
SCHEMBL1776895 0.76 P2RY14 (0.35) CNR1CNR2HTR6GCKHCAR3
SCHEMBL1777746 0.75 PDE4B (0.43) PIK3CA
SCHEMBL1778588 0.74 PDE4B (0.44) PIK3CA
SCHEMBL1232509 0.71 CNR1 (0.38) OPRM1CNR1CNR2IRAK4HCAR3
SCHEMBL1234278 0.70 CNR2 (0.41) OPRM1CNR1CNR2HCAR3
SCHEMBL1233398 0.67 CNR1 (0.46) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943636-B2 1-substituted pyrazolo (3,4-C) ring compounds as modulators of cytokine biosynthesis for the treatment of viral infections and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-20090163533-A1 1-Substituted Pyrazolo (3,4-C) Ring Compounds as Modulators of Cytokine Biosynthesis for the Treatment of Viral Infections and Neoplastic Diseases COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-06-25 US disclosed
EP-1863814-A1 1-SUBSTITUTED PYRAZOLO (3,4-C) RING COMPOUNDS AS MODULATORS OF CYTOKINE BIOSYNTHESIS FOR THE TREATMENT OF VIRAL INFECTIONS AND NEOPLASTIC DISEASES Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107851-A1 1-SUBSTITUTED PYRAZOLO (3,4-C) RING COMPOUNDS AS MODULATORS OF CYTOKINE BIOSYNTHESIS FOR THE TREATMENT OF VIRAL INFECTIONS AND NEOPLASTIC DISEASES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 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-20090163533-A1 1-Substituted Pyrazolo (3,4-C) Ring Compounds as Modulators of Cytokine Biosynthesis for the Treatment of Viral Infections and Neoplastic Diseases IL2, IL4, IFNG OPRM1 3872/4885CNR1 1059/4885CNR2 1976/4885

“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.