SCHEMBL5458059

SCHEMBL5458059

O=C(CN1CCc2ccccc2C1)NC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 4/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 2/20 0.56
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
HTR7 P34969 1/20 0.54
HRH1 P35367 1/20 0.54
DRD3 P35462 1/20 0.54
HTR2B P41595 1/20 0.54
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL5449563 0.91 DPP8 (0.56) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL5451682 0.90 ALDH1A1 (0.64) ALDH1A1L3MBTL1KMT2AMEN1POLB
SCHEMBL5453473 0.83 KMT2A (0.53) ALDH1A1KMT2AMEN1POLBDRD2
SCHEMBL5446354 0.82 KMT2A (0.72) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5243395 0.80 KMT2A (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5459268 0.80 KMT2A (0.67) ALDH1A1L3MBTL1CYP3A4CYP2D6CYP2C19
SCHEMBL5456538 0.78 NPC1 (0.67) ALDH1A1L3MBTL1KMT2AMEN1POLB
SCHEMBL5456128 0.77 ALDH1A1 (0.59) ALDH1A1L3MBTL1KMT2AMEN1POLB
SCHEMBL5461342 0.76 ALDH1A1 (0.57) ALDH1A1L3MBTL1KMT2AMEN1POLB
SCHEMBL5447851 0.76 ALDH1A1 (0.54) ALDH1A1L3MBTL1KMT2AMEN1POLB

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 489/4885L3MBTL1 4144/4885CYP1A2 3293/4885

“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.