SCHEMBL9895374

SCHEMBL9895374

CC(C)(O)C(=O)N1CCN(Cc2cc(Cl)cnc2Oc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.37
GRM2 Q14416 8/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
LTA4H P09960 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
MGLL Q99685 2/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL9895292 0.91 GRM2 (0.36) EPHX2GRM2LTA4HTBK1MGLL
SCHEMBL9896116 0.91 GRM2 (0.38) GRM2NPC1RAB9APTGDR2MTNR1B
SCHEMBL9895280 0.91 CNR1 (0.39) GRM2
SCHEMBL9894625 0.90 EPHX2 (0.37) EPHX2GRM2NPC1RAB9APTGDR2
SCHEMBL9895300 0.90 EPHX2 (0.37) EPHX2GRM2NPC1RAB9APTGDR2
SCHEMBL9895816 0.90 GRM2 (0.37) GRM2NPC1RAB9APTGDR2MGLL
SCHEMBL9895484 0.90 GRM2 (0.37) EPHX2GRM2NPC1RAB9APTGDR2
SCHEMBL9895485 0.90 GRM2 (0.37) GRM2NPC1RAB9APTGDR2LTA4H
SCHEMBL9895545 0.89 GRM2 (0.36) GRM2NPC1RAB9APTGDR2
SCHEMBL9895392 0.88 EPHX2 (0.39) EPHX2GRM2NPC1RAB9APTGDR2

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-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US 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 EPHX2 627/4885GRM2 1/4885NPC1 2352/4885

“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.