SCHEMBL14518802

SCHEMBL14518802

COc1cccc(SN(C)C(=O)C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 15/20 0.48
▸ MTNR1A P48039 14/20 0.48
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42

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
SCHEMBL5352053 0.76 ACHE (0.47) MTNR1BMTNR1ACES2CES1
SCHEMBL14518797 0.74 HSD17B2 (0.57) MTNR1BMTNR1A
SCHEMBL29940269 0.74 HSD17B2 (0.57) MTNR1BMTNR1A
SCHEMBL31319104 0.71 MTNR1A (0.47) MTNR1BMTNR1ACES2CES1
SCHEMBL15831230 0.71 MEN1 (0.62) —
SCHEMBL8384852 0.70 MTNR1A (0.45) MTNR1BMTNR1ACES2CES1
SCHEMBL28470846 0.69 MTNR1A (0.55) MTNR1BMTNR1ACES2CES1
SCHEMBL6962874 0.69 MTNR1A (0.56) MTNR1BMTNR1ACES2CES1
SCHEMBL5304699 0.69 MTNR1A (0.56) MTNR1BMTNR1ACES2CES1
SCHEMBL11658674 0.69 MTNR1A (0.56) MTNR1BMTNR1ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 — — 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-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 MTNR1B 1836/4885MTNR1A 2022/4885CES2 436/4885

“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.

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