SCHEMBL17077771

SCHEMBL17077771

CC(=O)c1ccc(-n2c(C)nc3ccccc32)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
HTT P42858 1/20 0.48
PDE10A Q9Y233 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KCNJ1 P48048 1/20 0.45
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.43
BMI1 P35226 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ALPL P05186 1/20 0.41
ALPP P05187 1/20 0.41
ALPG P10696 1/20 0.41
PLAA Q9Y263 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL18356086 0.85 ALDH1A1 (0.44) MAPK1HTTTSHRALDH1A1HSD17B10
SCHEMBL18355573 0.80 MAPK1 (0.66) MAPK1HTTHSD17B10KMT2AHRH3
SCHEMBL16739787 0.75 BMI1 (0.50) ALDH1A1MAPTRAB9AKMT2ABMI1
SCHEMBL17077632 0.75 MAPT (0.74) HTTKCNJ1MAPTRAB9A
SCHEMBL3595779 0.75 KCNJ1 (0.55) TSHRALDH1A1HSD17B10KCNJ1MAPT
SCHEMBL9384387 0.74 HSD17B10 (0.46) MAPK1HTTHSD17B10
SCHEMBL540845 0.73 MAPK1 (0.59) MAPK1HTTTSHRALDH1A1HSD17B10
SCHEMBL9726934 0.73 DRD1 (0.38) HTTHSD17B10
SCHEMBL15990262 0.72 HSD17B10 (0.56) MAPK1HTTALDH1A1HSD17B10
SCHEMBL3667518 0.71 HSD17B10 (0.72) MAPK1HTTALDH1A1HSD17B10HRH3

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 MAPK1 976/4885HTT 4358/4885PDE10A 1884/4885
US-10093678-B2 Azaspiro derivatives as TRPM8 antagonists TRPM8, TRPM7, TRPM5 MAPK1 976/4885HTT 4358/4885PDE10A 1884/4885
US-20180339993-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM6 MAPK1 1050/4885HTT 4321/4885PDE10A 2029/4885

“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.