SCHEMBL3475330

SCHEMBL3475330

COc1ccc2c(nnn2CC2CC2)c1Cl

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.67
PRPS1 P60891 1/20 0.37
NPBWR1 P48145 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TDO2 P48775 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8510414 0.84 GRM2 (0.67) GRM2L3MBTL1TDO2NPC1RAB9A
SCHEMBL9926811 0.82 GRM2 (0.61) GRM2KDM4ETDO2
SCHEMBL8510387 0.81 GRM2 (0.63) GRM2L3MBTL1
SCHEMBL8510359 0.79 GRM2 (0.61) GRM2NPBWR1NPC1RAB9A
SCHEMBL3475680 0.79 GRM2 (0.61) GRM2TDO2
SCHEMBL3476530 0.78 GRM2 (0.48) GRM2
SCHEMBL9895788 0.78 GRM2 (0.54) GRM2
SCHEMBL8511826 0.78 GRM2 (0.60) GRM2NPBWR1NPC1RAB9A
SCHEMBL8510462 0.78 GRM2 (0.40) GRM2PRPS1L3MBTL1ALDH1A1HPGD
SCHEMBL3475824 0.77 GRM2 (0.49) GRM2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705024-B1 Alkyne benzotriazole derivatives MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-9139576-B2 Aminomethyl biaryl benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-09-22 US disclosed
US-9139576-B2 Aminomethyl biaryl benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-09-22 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8785482-B2 Cyclohexene benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785482-B2 Cyclohexene benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8772276-B2 Alkyne benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-08 US disclosed
US-8772276-B2 Alkyne benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-08 US disclosed
US-20140088112-A1 ALKYNE BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2014-03-27 US disclosed
WO-2012151139-A1 ALKYNE BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-11-08 WO disclosed
WO-2012151136-A1 AMINOMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-11-08 WO disclosed
WO-2012151139-A1 ALKYNE BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-11-08 WO disclosed
WO-2012151138-A1 CYCLOHEXENE BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-11-08 WO disclosed
WO-2012151138-A1 CYCLOHEXENE BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-11-08 WO disclosed
WO-2012151136-A1 AMINOMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-11-08 WO disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
WO-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 WO disclosed
WO-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 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 (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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 GRM2 1/4885PRPS1 4290/4885NPBWR1 498/4885
US-20140088112-A1 ALKYNE BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRM3 GRM2 1/4885PRPS1 3562/4885NPBWR1 245/4885

“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.