SCHEMBL1776895

SCHEMBL1776895

CCCn1nc(C(=O)O)cc1CC1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 3/20 0.35
HCAR3 P49019 1/20 0.34
PDE4B Q07343 1/20 0.33
GCK P35557 2/20 0.33
PTGER1 P34995 1/20 0.33
HTR6 P50406 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
BRS3 P32247 1/20 0.32
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 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
SCHEMBL1777061 0.89 OPRM1 (0.36) PDE4BGCKHTR6CNR1CNR2
SCHEMBL1778325 0.87 HCAR3 (0.38) P2RY14HCAR3GCKHTR6CNR1
SCHEMBL1777746 0.86 PDE4B (0.43) PDE4B
SCHEMBL1778588 0.78 PDE4B (0.44) PDE4B
SCHEMBL1777976 0.76 OPRM1 (0.39) HCAR3GCKHTR6CNR1CNR2
SCHEMBL1776723 0.76 FAAH (0.36) PDE4BGCKHTR6CNR1CNR2
SCHEMBL1776954 0.76 PDE4D (0.36) HTR6BRD4CCL2
SCHEMBL3233729 0.72 MAPT (0.44) CNR1CNR2
SCHEMBL10274471 0.69 AURKA (0.47) PTGER1
SCHEMBL20461114 0.68 CNR1 (0.45) HCAR3PTGER1CNR1CNR2

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 P2RY14 976/4885HCAR3 2326/4885PDE4B 941/4885

“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.