SCHEMBL3266433

SCHEMBL3266433

CCCCNCc1cccc(C#N)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.65
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
NOS1 P29475 3/20 0.50
DPP7 Q9UHL4 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
CHRM2 P08172 2/20 0.45
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
GLA P06280 1/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 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
SCHEMBL11922712 0.95 SCN8A (0.64) SCN8ACYP1A2CYP2D6CYP2C19NOS1
SCHEMBL10874778 0.84 SCN8A (0.61) SCN8ANOS1DPP7CHRM2KDM1A
SCHEMBL409441 0.83 SCN8A (0.56) SCN8ACYP1A2CYP2D6CYP2C19NOS1
SCHEMBL410123 0.81 SCN8A (0.57) SCN8ANOS1DPP7KDM1AMAOA
SCHEMBL2828109 0.80 SCN8A (0.58) SCN8ACYP1A2CYP2D6CYP2C19NOS1
SCHEMBL2772974 0.80 SCN8A (0.64) SCN8ANOS1DPP7CHRM2KDM1A
SCHEMBL18096479 0.79 SCN8A (1.00) SCN8A
SCHEMBL923530 0.78 GLA (0.49) SCN8AHRH3GLADRD2DRD3
SCHEMBL320058 0.78 LOXL2 (0.59) SCN8ANOS1KDM1AMAOAMAOB
SCHEMBL30471916 0.78 LOXL2 (0.59) SCN8ANOS1KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE ORYZON GENOMICS, S.A. (ES) 2012-01-05 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-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE PNMT, ABCB1, SNCA SCN8A 3578/4885CYP1A2 433/4885CYP2D6 299/4885

“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.