SCHEMBL10312979

SCHEMBL10312979

CCOc1ccc2c(c1)CN(C(C)=O)CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.67
F10 P00742 5/20 0.58
NOTUM Q6P988 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
PORCN Q9H237 1/20 0.52
ALDH1A1 P00352 2/20 0.49
CPT2 P23786 1/20 0.48
CPT1A P50416 1/20 0.48
ALOX5 P09917 1/20 0.48
ABCB1 P08183 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PLG P00747 1/20 0.48

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
SCHEMBL25903824 0.89 HRH3 (0.71) HRH3F10NOTUMKMT2APORCN
SCHEMBL14067401 0.88 HRH3 (0.52) HRH3F10NOTUMNPC1RAB9A
SCHEMBL8247399 0.84 ESR1 (0.63) HRH3F10NOTUMNPC1RAB9A
SCHEMBL26022340 0.83 HRH3 (0.67) HRH3F10NOTUMKMT2APORCN
SCHEMBL11742670 0.82 F10 (0.61) HRH3F10NOTUMKMT2APORCN
SCHEMBL5100461 0.80 HRH3 (1.00) HRH3
SCHEMBL23538145 0.80 HRH3 (0.56) HRH3F10NOTUMKMT2APORCN
SCHEMBL30014877 0.80 HRH3 (0.56) HRH3F10NOTUMKMT2APORCN
SCHEMBL14477367 0.80 TMEM97 (0.66) HRH3
SCHEMBL21392851 0.79 KMT2A (0.50) HRH3NPC1RAB9AKMT2AALDH1A1

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 350/4885F10 4167/4885NOTUM 2863/4885

“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.