SCHEMBL10312984

SCHEMBL10312984

CCOc1cnc2c(c1)CN(C(C)=O)CC2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90B1 P14625 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ENPP2 Q13822 1/20 0.41
PORCN Q9H237 1/20 0.39
MAPT P10636 1/20 0.39
F10 P00742 2/20 0.39
CREBBP Q92793 1/20 0.38

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 0.79 NOTUM (0.42) HRH3NOTUMKMT2AHSP90AA1HSP90B1
SCHEMBL10312979 0.78 HRH3 (0.67) HRH3NOTUMALDH1A1KMT2ANPC1
SCHEMBL10312983 0.78 NOTUM (0.41) HRH3NOTUMKMT2AHSP90AA1HSP90B1
SCHEMBL16592794 0.78 NOTUM (0.46) NOTUMHSP90AA1ENPP2
SCHEMBL5386833 0.78 NOTUM (0.46) HRH3NOTUMHSP90AA1ENPP2CREBBP
SCHEMBL15926459 0.75 SMN1; SMN2 (0.44) ALDH1A1KMT2AHSP90AA1HSP90B1RAB9A
SCHEMBL5470665 0.74 BAZ2B (0.45) NOTUMALDH1A1KMT2ANPC1RAB9A
SCHEMBL14135312 0.73 DHFR (0.41) ALDH1A1HSP90AA1HSP90B1RAB9AMAPT
SCHEMBL15309449 0.73 ABHD6 (0.49) ALDH1A1HSP90AA1
SCHEMBL13226354 0.72 MAPT (0.48) MAPT

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 HRH3 350/4885NOTUM 2863/4885ALDH1A1 4339/4885

“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.