SCHEMBL5448603

SCHEMBL5448603

O=C(CN1CCc2cccnc2C1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CACNA2D1 P54289 5/20 0.46
CACNA1B Q00975 5/20 0.46
CACNB1 Q02641 5/20 0.46
CACNA1C Q13936 5/20 0.46
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RIPK1 Q13546 2/20 0.40
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NTRK1 P04629 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL13172811 0.83 L3MBTL1 (0.44) ALDH1A1LMNAL3MBTL1HTTNPSR1
SCHEMBL4228563 0.83 CACNA2D1 (0.53) ALDH1A1L3MBTL1HTTCACNA2D1CACNA1B
Hydrochloric Acid SCHEMBL12985522 0.82 L3MBTL1 (0.43) ALDH1A1LMNAL3MBTL1HTTNPSR1
SCHEMBL5453472 0.79 L3MBTL1 (0.43) ALDH1A1LMNAL3MBTL1HTTNPSR1
SCHEMBL5467799 0.77 CACNA2D1 (0.47) ALDH1A1LMNAL3MBTL1HTTCACNA2D1
SCHEMBL30662759 0.73 MEN1 (0.53) LMNAHTTNPSR1MEN1KMT2A
SCHEMBL12984920 0.73 MEN1 (0.53) LMNAHTTNPSR1MEN1KMT2A
SCHEMBL12984530 0.73 KCNQ2 (0.41) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5451862 0.73 DRD2 (0.49) ALDH1A1LMNACACNA2D1CACNA1BCACNB1
SCHEMBL5460735 0.73 CACNA2D1 (0.44) ALDH1A1LMNAL3MBTL1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 489/4885LMNA 1282/4885L3MBTL1 4144/4885

“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.