SCHEMBL9895441

SCHEMBL9895441

O=Cc1cccnc1Oc1ccc2c(nnn2CC2CC2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.46
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
ROCK2 O75116 3/20 0.31
GRM4 Q14833 1/20 0.31

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
SCHEMBL9895786 0.86 GRM2 (0.48) GRM2ROCK2
SCHEMBL9895477 0.85 GRM2 (0.43) GRM2
SCHEMBL9895547 0.85 GRM2 (0.47) GRM2
SCHEMBL9896361 0.84 GRM2 (0.34) GRM2TRIM24TRIM33
SCHEMBL9895559 0.84 GRM2 (0.44) GRM2
SCHEMBL9895620 0.83 GRM2 (0.45) GRM2ROCK2
SCHEMBL9896790 0.83 GRM2 (0.41) GRM2
SCHEMBL9894947 0.83 GRM2 (0.47) GRM2
SCHEMBL9895762 0.83 ROCK2 (0.46) GRM2ROCK2
SCHEMBL9897471 0.83 GRM2 (0.44) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US claimed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US claimed
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-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
EP-2470527-A1 ETHER BENZOTRIAZOLE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2012-07-04 EP 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
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 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 (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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 GRM2 1/4885TRIM24 2781/4885TRIM33 1444/4885

“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.