SCHEMBL5453472

SCHEMBL5453472

NC(=O)CN1CCc2cccnc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
NTRK1 P04629 1/20 0.43
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
CFTR P13569 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RIPK1 Q13546 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
OPRK1 P41145 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL24576860 0.90 PDCD1 (0.47) L3MBTL1DPP8DPP9MEN1KMT2A
SCHEMBL13172811 0.87 L3MBTL1 (0.44) L3MBTL1NTRK1DPP8DPP9MEN1
Hydrochloric Acid SCHEMBL12985522 0.86 L3MBTL1 (0.43) L3MBTL1NTRK1DPP8DPP9MEN1
SCHEMBL12984530 0.79 KCNQ2 (0.41) L3MBTL1NTRK1MEN1KMT2APRMT5
SCHEMBL5448603 0.79 ALDH1A1 (0.47) L3MBTL1NTRK1MEN1KMT2AALDH1A1
SCHEMBL6395035 0.79 MEN1 (0.60) L3MBTL1MEN1KMT2APRMT5WDR77
SCHEMBL5453478 0.78 PNMT (0.46) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL11923137 0.77 PNMT (0.43) DPP8DPP9KMT2ALMNAKDM4E
SCHEMBL5459188 0.76 ALDH1A1 (0.46) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL17376984 0.75 PRMT5 (0.48) PRMT5WDR77

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 WO disclosed
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 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 (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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A L3MBTL1 4144/4885NTRK1 235/4885DPP8 2876/4885

“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.