SCHEMBL787732

SCHEMBL787732

COC(=O)c1cc(-c2ccc(-c3ccc(F)cc3)cc2)cc(Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.55
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
FPR2 P25090 1/20 0.45
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NOTUM Q6P988 2/20 0.42
IKBKB O14920 1/20 0.42

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
SCHEMBL21044494 0.89 MAPT (0.54) SCN9AMAPTNPC1CASP3RAB9A
SCHEMBL15383825 0.85 ALDH1A1 (0.49) SCN9AMAPTNPC1CASP3RAB9A
SCHEMBL25834915 0.84 SCN9A (0.55) SCN9AMAPTNPC1CASP3RAB9A
SCHEMBL792486 0.80 NPC1 (0.50) SCN9AMAPTNPC1CASP3RAB9A
SCHEMBL25299294 0.79 SMN1; SMN2 (0.52) SCN9AMAPTNPC1CASP3RAB9A
SCHEMBL30510125 0.79 SMN1; SMN2 (0.52) SCN9AMAPTNPC1CASP3RAB9A
SCHEMBL30405699 0.78 NPC1 (0.51) SCN9AMAPTNPC1CASP3RAB9A
SCHEMBL25241472 0.78 NPC1 (0.51) SCN9AMAPTNPC1CASP3RAB9A
SCHEMBL2958040 0.77 SLC6A4 (0.46) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL16533700 0.75 NPC1 (0.51) SCN9AMAPTNPC1CASP3RAB9A

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-3590925-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2022-03-30 EP disclosed
EP-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed
US-9611222-B2 Pyridine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2017-04-04 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
EP-2616441-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2013-07-24 EP disclosed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 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 (2 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-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF TRPV1, CACNA1A, KCNA1 SCN9A 148/4885MAPT 3114/4885NPC1 1507/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 SCN9A 148/4885MAPT 3114/4885NPC1 1507/4885

“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.