SCHEMBL17077697

SCHEMBL17077697

CC(=O)c1nc(C)c(-c2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
XIAP P98170 1/20 0.50
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47

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
SCHEMBL22641006 0.82 NPC1 (0.47) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL14448725 0.81 PIK3CD (0.46) NPC1RAB9AKMT2AMEN1XIAP
SCHEMBL18356181 0.81 NPC1 (0.46) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL6500653 0.80 ALDH1A1 (0.55) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL12992093 0.76 PIK3CG (0.74) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL5736185 0.75 CDC7 (0.46) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL2958703 0.74 PIK3CD (0.59) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL92933 0.74 ALOX5 (0.66) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL14380746 0.73 ALOX5 (0.45) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL10365340 0.73 RAB9A (0.64) NPC1RAB9AKMT2AMEN1CASP3

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
EP-3116858-B1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2020-11-11 EP disclosed
US-20180339993-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2018-11-29 US disclosed
US-10093678-B2 Azaspiro derivatives as TRPM8 antagonists RAQUALIA PHARMA INC. (JP) 2018-10-09 US disclosed
EP-3116858-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RaQualia Pharma Inc. (JP) 2017-01-18 EP disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
WO-2015136947-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2015-09-17 WO 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 (3 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-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 NPC1 459/4885RAB9A 1225/4885KMT2A 1497/4885
US-10093678-B2 Azaspiro derivatives as TRPM8 antagonists TRPM8, TRPM7, TRPM5 NPC1 459/4885RAB9A 1225/4885KMT2A 1497/4885
US-20180339993-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM6 NPC1 421/4885RAB9A 1184/4885KMT2A 1562/4885

“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.