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SCHEMBL9895884

SCHEMBL9895884

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ GRM2 Q14416 5/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TACR1 P25103 1/20 0.32
▸ CCR1 P32246 1/20 0.32

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
SCHEMBL9895392 0.93 EPHX2 (0.39) PTGDR2GRM2SMN1; SMN2LMNAMAPK1
SCHEMBL9895484 0.93 GRM2 (0.37) PTGDR2GRM2SMN1; SMN2LMNAMAPK1
SCHEMBL9896116 0.91 GRM2 (0.38) PTGDR2GRM2ALDH1A1MEN1KMT2A
SCHEMBL9895801 0.88 GRM2 (0.36) PTGDR2GRM2SMN1; SMN2LMNAMAPK1
SCHEMBL9895816 0.88 GRM2 (0.37) PTGDR2GRM2LMNAHTTMEN1
SCHEMBL9895485 0.88 GRM2 (0.37) PTGDR2GRM2ALDH1A1NPC1RAB9A
SCHEMBL9895545 0.88 GRM2 (0.36) PTGDR2GRM2LMNAALDH1A1NPC1
SCHEMBL9894625 0.87 EPHX2 (0.37) PTGDR2GRM2NPC1RAB9A
SCHEMBL9895374 0.87 EPHX2 (0.37) PTGDR2GRM2NPC1RAB9A
SCHEMBL9895300 0.87 EPHX2 (0.37) PTGDR2GRM2NPC1RAB9A

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 PTGDR2 188/4885GRM2 1/4885SMN1; SMN2 1334/4885

“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.