SCHEMBL15834992

SCHEMBL15834992

Cc1cc2cc(Cl)ccc2c(=O)n1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
HAVCR2 Q8TDQ0 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAT2A P31153 1/20 0.42
IDH1 O75874 1/20 0.41
LMNA P02545 2/20 0.41
DPP4 P27487 3/20 0.40
CA9 Q16790 2/20 0.40
CYP3A4 P08684 1/20 0.39
CA12 O43570 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DAO P14920 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 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
SCHEMBL31743099 1.00 RXFP1 (0.45) RXFP1HAVCR2TP53SMN1; SMN2MAT2A
SCHEMBL15835015 0.79 KDM4E (0.42) SMN1; SMN2IDH1LMNACA9CA12
SCHEMBL15834991 0.79 HAVCR2 (0.39) HAVCR2LMNANPC1RAB9APDE3B
SCHEMBL15835014 0.76 KDM4E (0.45) TP53SMN1; SMN2LMNACYP3A4PDE3B
SCHEMBL13180854 0.76 HSD17B10 (0.53) RXFP1LMNAKMT2ADAO
SCHEMBL15834994 0.75 GABRG2 (0.38) LMNA
SCHEMBL15834990 0.73 CNR2 (0.35) RXFP1CYP3A4MAPK1KMT2ANPC1
SCHEMBL15834993 0.73 CYP1A1 (0.45) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL435737 0.73 RXFP1 (0.47) RXFP1CYP3A4MEN1MAPK1KMT2A
SCHEMBL9919031 0.73 BRD9 (0.41) RXFP1TP53SMN1; SMN2MAT2AIDH1

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 RXFP1 409/4885HAVCR2 3135/4885TP53 4812/4885
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 RXFP1 511/4885HAVCR2 3115/4885TP53 4829/4885

“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.