SCHEMBL9895746

SCHEMBL9895746

CC(C)(C)[C@]1(C)CN(Cc2cc(F)cnc2Oc2ccc3c(nnn3CC3CC3)c2Br)CCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.34
KEAP1 Q14145 9/20 0.31
NFE2L2 Q16236 9/20 0.31
HRH1 P35367 1/20 0.30
CCR3 P51677 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
SCHEMBL9895898 1.00 GRM2 (0.34) GRM2KEAP1NFE2L2HRH1CCR3
SCHEMBL9895292 0.84 GRM2 (0.36) GRM2CCR3
SCHEMBL9895972 0.83 GRM2 (0.38) GRM2
SCHEMBL9894961 0.83 PTGDR2 (0.39) GRM2
SCHEMBL9896113 0.83 PTGDR2 (0.39) GRM2
SCHEMBL9897638 0.82 RORC (0.35) GRM2
SCHEMBL9895282 0.82 GRM2 (0.39) GRM2KEAP1NFE2L2
SCHEMBL9896603 0.82 GPR119 (0.34) GRM2
SCHEMBL9895038 0.81 GRM2 (0.39) GRM2CCR3
SCHEMBL9895567 0.81 GRM2 (0.36) 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 2 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-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 1/4885KEAP1 1627/4885NFE2L2 631/4885

“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.