SCHEMBL1090338

SCHEMBL1090338

CC(C)c1noc([C@H](C)N)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTT P42858 1/20 0.31
IDH1 O75874 1/20 0.30
VSIR Q9H7M9 2/20 0.30
CD274 Q9NZQ7 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
SCHEMBL669614 1.00 GPR119 (0.36) GPR119MAOAMAOBHTTIDH1
SCHEMBL786607 0.83 HTT (0.41) GPR119MAOAMAOBHTTIDH1
SCHEMBL26167034 0.82 HTT (0.38) HTTVSIRCD274
SCHEMBL15932016 0.81 GPR119 (0.33) GPR119MAOAMAOBVSIRCD274
SCHEMBL24086174 0.79 VSIR (0.35) VSIRCD274
SCHEMBL22139805 0.79 VSIR (0.46) VSIRCD274
SCHEMBL13319540 0.78
SCHEMBL13489687 0.78 GPR119 (0.32) GPR119MAOAMAOB
SCHEMBL21398054 0.77 GPR119 (0.36) GPR119MAOAMAOBHTTIDH1
SCHEMBL1091056 0.77 GPR119 (0.43) GPR119MAOAMAOBHTTIDH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044303-A1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE ONCOLOGY LIMITED (IN) 2018-02-15 US disclosed
US-8153626-B2 Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-04-10 US disclosed
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS MERCK SHARP & DOHME LLC 2010-12-16 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 (2 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-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS BRS3, BRSK1, BRSK2 GPR119 4/4885MAOA 4363/4885MAOB 3789/4885
US-20180044303-A1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS PDCD1, PDCD1LG2, CD274 GPR119 3261/4885MAOA 3136/4885MAOB 2830/4885

“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.