SCHEMBL449567

SCHEMBL449567

CN(C)c1ccc(NC(=O)[C@@H]2CCCN2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.52
SCN9A Q15858 2/20 0.52
EPHX1 P07099 1/20 0.51
PSMB8 P28062 2/20 0.51
PFKFB1 P16118 3/20 0.50
PFKFB3 Q16875 3/20 0.50
PFKFB2 O60825 2/20 0.50
SHMT2 P34897 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ULK1 O75385 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SCN5A Q14524 1/20 0.47
DHODH Q02127 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TERT O14746 1/20 0.44
KHK P50053 1/20 0.44

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
SCHEMBL449568 1.00 SCN3A (0.52) SCN3ASCN9AEPHX1PSMB8PFKFB1
SCHEMBL23373349 0.92 PFKFB3 (0.54) SCN3ASCN9APSMB8PFKFB1PFKFB3
SCHEMBL10327297 0.84 SCN3A (0.55) SCN3ASCN9AEPHX1PSMB8PFKFB1
SCHEMBL24609551 0.84 SCN3A (0.55) SCN3ASCN9APSMB8PFKFB1PFKFB3
SCHEMBL873241 0.84 SCN3A (0.55) SCN3ASCN9AEPHX1PSMB8PFKFB1
SCHEMBL17676974 0.84 SCN3A (0.55) SCN3ASCN9AEPHX1PSMB8PFKFB1
SCHEMBL13388756 0.83 SCN3A (0.64) SCN3ASCN9APSMB8ULK1SCN5A
SCHEMBL7692273 0.82 SCN3A (0.56) SCN3ASCN9AEPHX1PSMB8PFKFB1
SCHEMBL29365790 0.82 SCN3A (0.56) SCN3ASCN9AEPHX1PSMB8PFKFB1
SCHEMBL13379539 0.81 SCN3A (0.58) SCN3ASCN9AEPHX1PSMB8MEN1

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
EP-2431353-B1 Process for preparing amine compound KANTO KAGAKU (JP) 2016-01-20 EP disclosed
EP-2431353-A1 Process for preparing amine compound Kanto Kagaku Kabushiki Kaisha (JP) 2012-03-21 EP disclosed
US-20120065426-A1 PROCESS FOR PREPARING AMINE COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-03-15 US 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-20120065426-A1 PROCESS FOR PREPARING AMINE COMPOUND PNMT, HNMT, GNMT SCN3A 4119/4885SCN9A 2433/4885EPHX1 1648/4885

“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.