SCHEMBL9895376

SCHEMBL9895376

CC(O)(C=O)CN1CCN(Cc2cc(Cl)cnc2Oc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.31
HRH1 P35367 1/20 0.30
CCR3 P51677 1/20 0.30
KCNH2 Q12809 1/20 0.30
CNR2 P34972 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
SCHEMBL9895943 0.88 GRM2 (0.39) GRM2CNR2
SCHEMBL9895374 0.88 EPHX2 (0.37) GRM2PTGDR2
SCHEMBL9896706 0.86 GRM2 (0.41) GRM2
SCHEMBL9894611 0.86 GRM2 (0.42) GRM2CNR2
SCHEMBL9896116 0.86 GRM2 (0.38) GRM2PTGDR2
SCHEMBL9895280 0.85 CNR1 (0.39) GRM2
SCHEMBL9896904 0.85 CCR5 (0.41) GRM2
SCHEMBL9896223 0.85 GRM2 (0.41) GRM2CNR2
SCHEMBL9895545 0.85 GRM2 (0.36) GRM2PTGDR2
SCHEMBL9895550 0.85 GRM2 (0.39) GRM2CNR2

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 1/4885PTGDR2 188/4885HRH1 734/4885

“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.