SCHEMBL8510239

SCHEMBL8510239

CC(C)(C)Cn1nnc2c(Br)c(OCc3cccc(-c4cccnc4C#N)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.39
CTSS P25774 4/20 0.36
GRM2 Q14416 3/20 0.34
GRM5 P41594 2/20 0.33
FFAR1 O14842 1/20 0.32
CTSK P43235 1/20 0.32
METAP2 P50579 2/20 0.31
PDCD1 Q15116 3/20 0.30
CD274 Q9NZQ7 3/20 0.30
PTGER1 P34995 1/20 0.30

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
SCHEMBL8511776 0.89 GRM2 (0.33) F2RL3CTSSGRM2
SCHEMBL8510140 0.88 GRM2 (0.37) F2RL3CTSSGRM2
SCHEMBL8511915 0.87 F2RL3 (0.39) F2RL3CTSSGRM2FFAR1METAP2
SCHEMBL8511926 0.87 GRM2 (0.32) F2RL3CTSSGRM2
SCHEMBL8510107 0.86 GRM2 (0.34) GRM2GRM5FFAR1PDCD1CD274
SCHEMBL9604223 0.85 GRM2 (0.36) CTSSGRM2PDCD1CD274
SCHEMBL8511759 0.84 GRM2 (0.37) F2RL3CTSSGRM2CTSK
SCHEMBL8512575 0.83 CTSS (0.42) F2RL3CTSSGRM2CTSK
SCHEMBL8512353 0.81 GRM2 (0.38) GRM2FFAR1PTGER1
SCHEMBL9604222 0.81 GRM2 (0.42) GRM2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US claimed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US claimed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 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-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 F2RL3 2251/4885CTSS 4520/4885GRM2 1/4885

“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.