Sugi Predict

Sugi Predict / Compounds / SCHEMBL9895484

SCHEMBL9895484

SCHEMBL9895484

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 6/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ ALDH1A1 P00352 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 0.94 EPHX2 (0.39) GRM2PTGDR2EPHX2HRH3NPC1
SCHEMBL9895884 0.93 PTGDR2 (0.36) GRM2PTGDR2HRH3NPC1RAB9A
SCHEMBL9896116 0.92 GRM2 (0.38) GRM2PTGDR2NPC1RAB9AKDM4E
SCHEMBL9895485 0.91 GRM2 (0.37) GRM2PTGDR2HRH3NPC1RAB9A
SCHEMBL9895816 0.91 GRM2 (0.37) GRM2PTGDR2NPC1RAB9ALMNA
SCHEMBL9895545 0.90 GRM2 (0.36) GRM2PTGDR2NPC1RAB9ALMNA
SCHEMBL9895374 0.90 EPHX2 (0.37) GRM2PTGDR2EPHX2NPC1RAB9A
SCHEMBL9894625 0.90 EPHX2 (0.37) GRM2PTGDR2EPHX2NPC1RAB9A
SCHEMBL9895300 0.90 EPHX2 (0.37) GRM2PTGDR2EPHX2NPC1RAB9A
SCHEMBL9895801 0.90 GRM2 (0.36) GRM2PTGDR2NPC1RAB9ALMNA

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 GRM2 1/4885PTGDR2 188/4885EPHX2 627/4885

“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.