SCHEMBL6837239

SCHEMBL6837239

COc1ccc(Cn2ncc3c2CC2(CC2)C(Br)C3=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.45
MCHR1 Q99705 1/20 0.42
TOP2A P11388 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CMA1 P23946 1/20 0.37
PDE1A P54750 2/20 0.37
PDE1B Q01064 2/20 0.37
PDE1C Q14123 2/20 0.37
UCHL1 P09936 1/20 0.37
BLM P54132 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36

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
SCHEMBL15182490 0.88 NPBWR1 (0.46) NPBWR1MCHR1TOP2AMEN1ALDH1A1
SCHEMBL6837345 0.81 NPBWR1 (0.49) NPBWR1MCHR1TOP2AMEN1ALDH1A1
SCHEMBL15182486 0.79 NPBWR1 (0.47) NPBWR1MCHR1TOP2ACMA1PDE1A
SCHEMBL6837217 0.77 NPBWR1 (0.48) NPBWR1MCHR1TOP2AMEN1ALDH1A1
SCHEMBL25184150 0.76 NPBWR1 (0.49) NPBWR1MCHR1TOP2AMEN1ALDH1A1
SCHEMBL15182489 0.76 CYP11B2 (0.52) NPBWR1MCHR1TOP2AMEN1ALDH1A1
SCHEMBL25521018 0.76 NPBWR1 (0.49) NPBWR1MCHR1TOP2AMEN1ALDH1A1
SCHEMBL29191881 0.73 NPBWR1 (0.44) NPBWR1MCHR1TOP2AMEN1ALDH1A1
SCHEMBL30413491 0.73 NPBWR1 (0.44) NPBWR1MCHR1TOP2AMEN1ALDH1A1
SCHEMBL29191880 0.73 NPBWR1 (0.44) NPBWR1MCHR1TOP2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
WO-2012006760-A1 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012008999-A2 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO 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-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. GRM3, GRM6, GRM1 NPBWR1 621/4885MCHR1 115/4885TOP2A 4592/4885

“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.