SCHEMBL15834993

SCHEMBL15834993

CC#Cc1ccc2c(=O)n(C)c(C)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP1B1 Q16678 2/20 0.45
L3MBTL1 Q9Y468 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TLR9 Q9NR96 1/20 0.36
GRM5 P41594 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRM4 Q14833 3/20 0.32
HCRTR1 O43613 1/20 0.32
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
POLB P06746 1/20 0.31
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31

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
SCHEMBL15834995 0.84 GABRA1 (0.43) L3MBTL1MEN1KMT2ATLR9GRM5
SCHEMBL15834994 0.83 GABRG2 (0.38) L3MBTL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL15834991 0.73 HAVCR2 (0.39) NPC1RAB9A
SCHEMBL15834992 0.73 RXFP1 (0.45) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL15835015 0.73 KDM4E (0.42) CYP1A2MEN1KMT2ABACE1KDM4E
SCHEMBL31743099 0.73 RXFP1 (0.45) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL15835014 0.71 KDM4E (0.45) L3MBTL1KDM4E
SCHEMBL13180854 0.71 HSD17B10 (0.53) L3MBTL1KMT2APOLBRXFP1KDM4E
SCHEMBL15834990 0.69 CNR2 (0.35) KMT2ANPC1RAB9ARXFP1KDM4E
SCHEMBL23665469 0.69 KMT2A (0.50) CYP1A1CYP1A2CYP1B1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-9260452-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-02-16 US disclosed
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 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 (2 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-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 CYP1A1 4252/4885CYP1A2 3973/4885CYP1B1 4254/4885
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 CYP1A1 3919/4885CYP1A2 3635/4885CYP1B1 3831/4885

“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.