SCHEMBL6837137

SCHEMBL6837137

COc1ccc(Cn2ncc3c2CCCC3=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49
CSNK2A1 P68400 2/20 0.48
PLK1 P53350 1/20 0.48
PLK3 Q9H4B4 1/20 0.48
MCHR1 Q99705 1/20 0.47
TOP2A P11388 1/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
CMA1 P23946 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6837344 0.92 NPBWR1 (0.53) NPBWR1MCHR1TOP2ACMA1MEN1
SCHEMBL24933626 0.84 NPBWR1 (0.50) NPBWR1MCHR1TOP2ACMA1MEN1
SCHEMBL6663384 0.82 ELANE (0.55) CA1CA2CA4CA9CSNK2A1
SCHEMBL15130217 0.81 NPBWR1 (0.47) NPBWR1MCHR1TOP2ACMA1MEN1
SCHEMBL30875221 0.80 NPBWR1 (0.49) NPBWR1MCHR1TOP2ACMA1MEN1
SCHEMBL30875225 0.80 NPBWR1 (0.49) NPBWR1MCHR1TOP2ACMA1MEN1
SCHEMBL15182489 0.80 CYP11B2 (0.52) NPBWR1CA1CA2CA4CA9
SCHEMBL6837217 0.79 NPBWR1 (0.48) NPBWR1MCHR1TOP2ACMA1MEN1
SCHEMBL15182486 0.78 NPBWR1 (0.47) NPBWR1MCHR1TOP2ACMA1ELANE
SCHEMBL370796 0.78 NPBWR1 (0.50) NPBWR1MCHR1MEN1LMNAHTT

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 621/4885CA1 1272/4885CA2 996/4885

“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.