SCHEMBL9895764

SCHEMBL9895764

CC(C)(C)OC(=O)N1CC2CCC1CN2Cc1cc(F)cnc1Oc1ccc2c(nnn2CC2CC2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.39
KCNK9 Q9NPC2 4/20 0.39
GRM2 Q14416 12/20 0.34
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
NQO1 P15559 1/20 0.31
HDAC1 Q13547 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
SCHEMBL9897266 0.87 KCNK3 (0.35) KCNK3KCNK9GRM2GPR119NQO1
SCHEMBL9905518 0.87 KCNK3 (0.35) KCNK3KCNK9GRM2GPR119NQO1
SCHEMBL9895745 0.86 PTGDR2 (0.36) GRM2HTR2AHTR2CSLC6A4GPR119
SCHEMBL9895896 0.86 PTGDR2 (0.36) GRM2HTR2AHTR2CSLC6A4GPR119
SCHEMBL9895725 0.84 GRM2 (0.36) GRM2
SCHEMBL9896603 0.82 GPR119 (0.34) GRM2HTR2AHTR2CSLC6A4GPR119
SCHEMBL9895814 0.81 GRM2 (0.38) GRM2
SCHEMBL9897638 0.81 RORC (0.35) GRM2GPR119HDAC1
SCHEMBL9895488 0.80 CYP2D6 (0.34) GRM2HTR2AHTR2CSLC6A4HDAC1
SCHEMBL9896270 0.79 GRM2 (0.45) GRM2HTR2AHTR2CSLC6A4

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
EP-2470527-A1 ETHER BENZOTRIAZOLE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2012-07-04 EP 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
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 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.