SCHEMBL18334537

SCHEMBL18334537

CC(CNC(=O)C(F)(F)F)C1CC(=O)N(c2ccccc2)N1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ POLB P06746 3/20 0.33
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ MT-CO2 P00403 2/20 0.32
▸ ALOX5 P09917 2/20 0.32
▸ PRKG1 Q13976 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RIPK1 Q13546 2/20 0.32
▸ SLC1A2 P43004 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
SCHEMBL18334469 0.78 GAA (0.33) GAAALDH1A1MTNR1AMTNR1BHCRTR2
SCHEMBL18334565 0.78 GAA (0.33) GAAALDH1A1MTNR1AMTNR1BHCRTR2
SCHEMBL18334499 0.78 GAA (0.33) GAAALDH1A1MTNR1AMTNR1BHCRTR2
SCHEMBL18334460 0.77 MTNR1A (0.46) GAAMTNR1AMTNR1BNQO2OPRD1
SCHEMBL18334543 0.76 GAA (0.40) GAAALDH1A1RAB9APOLBMTNR1A
SCHEMBL18334436 0.74 KDM4E (0.34) GAAALDH1A1HCRTR2OPRD1KMT2A
SCHEMBL18334479 0.73 GAA (0.39) GAAPOLBMTNR1AMTNR1BMT-CO2
SCHEMBL18334495 0.68 GAA (0.33) GAAALDH1A1POLBMTNR1AMTNR1B
SCHEMBL18768145 0.68 NAPRT (0.43) GAAALDH1A1RAB9APOLBKMT2A
SCHEMBL18334458 0.67 GAA (0.57) GAAALDH1A1POLBKMT2A

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 GAA 2530/4885ALDH1A1 2821/4885GPR119 796/4885

“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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