SCHEMBL10145853

SCHEMBL10145853

Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cnn(CCN4CCOCC4)c3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.54
ABL1 P00519 1/20 0.44
MAP4K4 O95819 1/20 0.43
FGFR1 P11362 4/20 0.43
NTRK1 P04629 1/20 0.41
CSF1R P07333 1/20 0.41
NTRK2 Q16620 1/20 0.41
WDR5 P61964 1/20 0.41
PIK3CA P42336 3/20 0.41
MTOR P42345 2/20 0.41
ATM Q13315 1/20 0.41
ATR Q13535 1/20 0.41
S1PR1 P21453 1/20 0.40
PARG Q86W56 1/20 0.40
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL10146332 0.82 GRM2 (0.67) GRM2PIK3CAMTORPARG
SCHEMBL10146629 0.81 GRM2 (0.59) GRM2PARG
SCHEMBL14992901 0.78 GRM2 (0.56) GRM2PARGSYK
SCHEMBL10146333 0.73 GRM2 (0.70) GRM2PARG
SCHEMBL11947309 0.73 SIGMAR1 (0.52) ABL1MAP4K4FGFR1PIK3CAS1PR1
SCHEMBL10146324 0.71 GRM2 (0.76) GRM2PARG
SCHEMBL12449560 0.71 ALDH1A1 (0.45) ABL1MAP4K4FGFR1PIK3CAS1PR1
SCHEMBL14992292 0.71 GRM2 (0.64) GRM2PIK3CAMTORPARG
SCHEMBL10146367 0.71 GRM2 (0.80) GRM2PARG
SCHEMBL15214859 0.71 MAP4K4 (0.50) ABL1MAP4K4PIK3CAS1PR1IKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993779-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2015-03-31 US claimed
US-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-06 US claimed
US-8993779-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-8993779-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-8993779-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-06 US disclosed
US-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-06 US disclosed
US-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-06 US disclosed
WO-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 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-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 GRM2, GRIA2, GRM1 GRM2 1/4885ABL1 3124/4885MAP4K4 1527/4885

“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.