SCHEMBL10312983

SCHEMBL10312983

COCc1cnc2c(c1)CN(C(C)=O)CC2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
ENPP2 Q13822 1/20 0.40
CYP11B2 P19099 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
KCNH2 Q12809 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36
OGA O60502 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
PDGFRB P09619 1/20 0.36
FYN P06241 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
SCHEMBL10312981 0.83 NOTUM (0.42) NOTUMENPP2HRH3FNTAFNTB
SCHEMBL10312984 0.78 HRH3 (0.44) NOTUMENPP2HRH3NPC1KMT2A
SCHEMBL10312978 0.77 NOTUM (0.55) NOTUMHRH3NPC1KMT2A
SCHEMBL5386833 0.77 NOTUM (0.46) NOTUMENPP2HRH3HSP90AA1OGA
SCHEMBL16592794 0.77 NOTUM (0.46) NOTUMENPP2KCNH2FNTAFNTB
SCHEMBL10312999 0.76 NPC1 (0.36) CYP11B2HRH3KCNH2NPC1HSP90AA1
SCHEMBL14135312 0.74 DHFR (0.41) HSP90AA1HSP90B1PDGFRB
SCHEMBL5470665 0.73 BAZ2B (0.45) NOTUMENPP2NPC1KMT2A
SCHEMBL10313002 0.72 MAPT (0.52)
SCHEMBL10313009 0.72 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 2517/4885CYP11B2 915/4885

“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.