SCHEMBL10312982

SCHEMBL10312982

CCCc1ccc2c(n1)CN(C(C)=O)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
HRH3 Q9Y5N1 2/20 0.38
GRM5 P41594 1/20 0.38
ENPP2 Q13822 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
EP300 Q09472 2/20 0.35
CREBBP Q92793 2/20 0.35
KCNH2 Q12809 1/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL10312980 0.84 NOTUM (0.46) NOTUMHRH3GRM5ENPP2MEN1
SCHEMBL22982496 0.74 MAPK1 (0.35) NOTUML3MBTL1MAPTMEN1KMT2A
SCHEMBL10313025 0.74 PTGS1 (0.47) GRM5LMNAMEN1KMT2AKCNH2
SCHEMBL8203535 0.73 NOTUM (0.56) NOTUMATMHRH3
SCHEMBL21414479 0.73 ATM (0.38) L3MBTL1ATMENPP2LMNAMAPT
SCHEMBL3438654 0.71 NOTUM (0.61) NOTUMGRM5ENPP2PTAFR
SCHEMBL25060993 0.71 ADRA2A (0.41) LMNAMEN1KMT2ADRD2DRD1
SCHEMBL21414424 0.70 KDR (0.39) L3MBTL1ATMENPP2LMNAMAPT
SCHEMBL10312981 0.70 NOTUM (0.42) NOTUMATMHRH3ENPP2MEN1
SCHEMBL29697592 0.70 ESR2 (0.54) GRM5MAPTMAPK1MTOR

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 2863/4885L3MBTL1 3384/4885ATM 2193/4885

“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.