SCHEMBL18334460

SCHEMBL18334460

CN1C(CCNC(=O)C(F)(F)F)CC(=O)N1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 12/20 0.46
▸ MTNR1B P49286 12/20 0.46
▸ NQO2 P16083 7/20 0.41
▸ GAA P10253 1/20 0.39
▸ OPRD1 P41143 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ MIF P14174 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGA5 P08648 1/20 0.34

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
SCHEMBL18334479 0.81 GAA (0.39) MTNR1AMTNR1BGAADRD2DRD4
SCHEMBL18334543 0.80 GAA (0.40) MTNR1AMTNR1BGAA
SCHEMBL18334537 0.77 GAA (0.37) MTNR1AMTNR1BNQO2GAAOPRD1
SCHEMBL18334461 0.76 MTNR1A (0.40) MTNR1AMTNR1BNQO2GAAOPRD1
SCHEMBL18334574 0.73 MT-CO2 (0.34) MTNR1AMTNR1BGAAITGB1ITGA5
SCHEMBL18334421 0.73 MTNR1A (0.37) MTNR1AMTNR1BNQO2GAAOPRD1
SCHEMBL18334614 0.70 ITGB1 (0.36) MTNR1AMTNR1BGAAITGB1ITGA5
SCHEMBL18334425 0.70 MTNR1A (0.38) MTNR1AMTNR1BNQO2GAAOPRD1
SCHEMBL17034884 0.67 NAPRT (0.43) MTNR1AMTNR1BNQO2GAA
SCHEMBL18334499 0.66 GAA (0.33) MTNR1AMTNR1BGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 — — US disclosed
EP-3109239-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-12-28 — — EP 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-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL MTNR1A 2426/4885MTNR1B 2581/4885NQO2 573/4885

“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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