SCHEMBL17077872

SCHEMBL17077872

CC(=O)c1ccc(Nc2nc(Cl)ccc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ TTBK1 Q5TCY1 1/20 0.46
▸ TTBK2 Q6IQ55 1/20 0.46
▸ MAPT P10636 7/20 0.44
▸ HTT P42858 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NLRP1 Q9C000 1/20 0.43
▸ PTPN6 P29350 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPKAPK2 P49137 1/20 0.41
▸ RAD52 P43351 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ AHR P35869 1/20 0.40

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
SCHEMBL17077860 0.84 NPC1 (0.55) RAB9ANPC1TTBK1TTBK2MAPT
SCHEMBL1600224 0.80 MAPT (0.43) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL17077800 0.79 SYK (0.46) RAB9ANPC1TTBK1TTBK2MAPT
SCHEMBL17077895 0.78 MAPT (0.53) RAB9ANPC1MAPTHTTNPSR1
SCHEMBL13730057 0.76 BCL6 (0.51) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL6803840 0.75 CA12 (0.58) RAB9ANPC1TTBK1TTBK2MAPT
SCHEMBL3998429 0.73 NPC1 (0.57) RAB9ANPC1MAPTHTTNPSR1
SCHEMBL31227501 0.71 ABL1 (0.44) TTBK1TTBK2MAPTALDH1A1KDM4E
SCHEMBL6906973 0.71 RAB9A (0.60) RAB9ANPC1MAPTHTTNPSR1
SCHEMBL38657018 0.70 TYK2 (0.39) NPC1MAPTHTTALDH1A1MEN1

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 6 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
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 RAB9A 1225/4885NPC1 459/4885TTBK1 2353/4885
US-10093678-B2 Azaspiro derivatives as TRPM8 antagonists TRPM8, TRPM7, TRPM5 RAB9A 1225/4885NPC1 459/4885TTBK1 2353/4885
US-20180339993-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM6 RAB9A 1184/4885NPC1 421/4885TTBK1 2317/4885

“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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