SCHEMBL10312981

SCHEMBL10312981

CCCc1cnc2c(c1)CN(C(C)=O)CC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
ENPP2 Q13822 1/20 0.41
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
OGA O60502 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSP90AA1 P07900 4/20 0.36
FYN P06241 1/20 0.36
HSP90B1 P14625 2/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL10312983 0.83 NOTUM (0.41) NOTUMENPP2FNTAFNTBOGA
SCHEMBL10312984 0.79 HRH3 (0.44) NOTUMENPP2HRH3KMT2AHSP90AA1
SCHEMBL16592794 0.78 NOTUM (0.46) NOTUMENPP2FNTAFNTBHSP90AA1
SCHEMBL5386833 0.78 NOTUM (0.46) NOTUMENPP2OGAHRH3HSP90AA1
SCHEMBL10312999 0.77 NPC1 (0.36) HRH3PDGFRBKDRHSP90AA1FYN
SCHEMBL8203535 0.77 NOTUM (0.56) NOTUMHRH3ATM
SCHEMBL14135312 0.75 DHFR (0.41) PDGFRBHSP90AA1HSP90B1ATM
SCHEMBL5470665 0.74 BAZ2B (0.45) NOTUMENPP2KDRMEN1KMT2A
SCHEMBL14135300 0.73 KDM4E (0.49) MEN1KMT2A
SCHEMBL10313009 0.73 MAPT (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178776-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-12 US 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-20120178776-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS GRM5, GRIK5, GRM3 NOTUM 2863/4885ENPP2 2517/4885HTR2A 173/4885

“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.