SCHEMBL9897266

SCHEMBL9897266

CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1CN2Cc1cc(Cl)cnc1Oc1ccc2c(nnn2CC2CC2)c1Br

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.35
KCNK9 Q9NPC2 4/20 0.35
GRM2 Q14416 8/20 0.33
MAPK8 P45983 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
PARP1 P09874 1/20 0.31
NQO1 P15559 1/20 0.31
P2RX3 P56373 2/20 0.30
FAAH O00519 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
SCHEMBL9905518 1.00 KCNK3 (0.35) KCNK3KCNK9GRM2MAPK8FGFR1
SCHEMBL9895955 0.91 GRM2 (0.35) GRM2FAAH
SCHEMBL9896873 0.91 GRM2 (0.35) GRM2FAAH
SCHEMBL9895764 0.87 KCNK3 (0.39) KCNK3KCNK9GRM2GPR119NQO1
SCHEMBL9895280 0.84 CNR1 (0.39) GRM2
SCHEMBL9895655 0.84 GRM2 (0.35) GRM2
SCHEMBL9898075 0.84 GRM2 (0.35) GRM2
SCHEMBL9926889 0.81 GRM2 (0.38) GRM2
SCHEMBL9895656 0.80 GRM2 (0.37) GRM2
SCHEMBL9895247 0.80 GRM2 (0.37) 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 5 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 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-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 KCNK3 1635/4885KCNK9 2654/4885GRM2 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.