SCHEMBL343082

SCHEMBL343082

O=C1CN=C(c2ccc(F)c(F)c2)O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 1/20 0.40
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
KMO O15229 2/20 0.36
GRM2 Q14416 1/20 0.35
NOTUM Q6P988 1/20 0.35
MAOB P27338 1/20 0.35
PTGS2 P35354 5/20 0.35
PTGS1 P23219 3/20 0.35
PGR P06401 2/20 0.35
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ABCB1 P08183 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL15984285 0.85 NISCH (0.44) PDE3BPDE3AKMONOTUMPGR
SCHEMBL6135895 0.81 NPC1 (0.33) NOTUM
SCHEMBL17512909 0.80 USP1 (0.37) NOTUMPTGS1PGR
SCHEMBL6699746 0.78 NPC1 (0.35) PGR
SCHEMBL8915564 0.77 NOTUM (0.44) DAPK3NOTUMMAOB
SCHEMBL15986957 0.75 THRA (0.39) GRM2
SCHEMBL342824 0.75 PDE3B (0.37) PDE3BPDE3AMAOBCYP11B1CYP11B2
SCHEMBL5855957 0.75 GSTP1 (0.46) NOTUMMAOBCYP17A1CYP11B1CYP11B2
SCHEMBL15969299 0.74 ERN1 (0.44) GRM2MAOB
SCHEMBL10448205 0.73 NPC1 (0.45) NOTUMMAOBPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
WO-2010068520-A2 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2010-06-17 WO disclosed
WO-2010068520-A2 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2010-06-17 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-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CNR1, CNR2, HRH1 DAPK3 1868/4885PDE3B 2365/4885PDE3A 2375/4885

“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.