SCHEMBL963385

SCHEMBL963385

NC(=O)CNCCc1cccc(OCc2ccccc2F)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.63
CYP2D6 P10635 4/20 0.55
SPHK2 Q9NRA0 2/20 0.53
SPHK1 Q9NYA1 1/20 0.53
MAOB P27338 3/20 0.49
PARP15 Q460N3 2/20 0.49
PARP10 Q53GL7 2/20 0.49
PARP14 Q460N5 1/20 0.49
CD274 Q9NZQ7 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BCHE P06276 1/20 0.46
SCN9A Q15858 1/20 0.46
KCNH2 Q12809 2/20 0.45

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
SCHEMBL963826 0.88 SCN3A (0.76) SCN3ASPHK2SPHK1MAOBPARP15
SCHEMBL963902 0.87 SCN3A (0.78) SCN3AMAOBPARP15PARP10PARP14
SCHEMBL966857 0.84 CYP2D6 (0.57) CYP2D6SPHK2SPHK1MAOBPARP10
SCHEMBL967684 0.81 SCN9A (0.65) SCN3ACYP2D6MAOBPARP15PARP10
SCHEMBL964219 0.77 SCN3A (1.00) SCN3ASPHK2SPHK1MAOBPARP15
SCHEMBL4453247 0.77 SCN3A (0.57) SCN3ACYP2D6MAOBPARP15PARP10
SCHEMBL3025595 0.76 CYP2D6 (0.74) CYP2D6KCNH2
SCHEMBL3032484 0.75 CYP2D6 (0.75) CYP2D6KCNH2
Hydrochloric Acid SCHEMBL3031230 0.75 KCNH2 (0.75) CYP2D6KCNH2
SCHEMBL3030045 0.74 CYP2D6 (0.76) CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222290-B1 ALPHA-AMINOAMIDE DERIVATIVES FOR THE TREATMENT OF PSYCHIATRIC DISORDERS NEWRON PHARM SPA (IT) 2021-06-16 EP claimed
US-8445539-B2 Alpha-aminoamide derivatives useful in the treatment of psychiatric disorders NEWRON PHARMACEUTICALS S.P.A. (IT) 2013-05-21 US claimed
US-20110014304-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSYCHIATRIC DISORDERS NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-01-20 US claimed
EP-2222290-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSYCHIATRIC DISORDERS Newron Pharmaceuticals S.p.A. (IT) 2010-09-01 EP claimed
WO-2009080470-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSYCHIATRIC DISORDERS NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-07-02 WO claimed
EP-2222290-B1 ALPHA-AMINOAMIDE DERIVATIVES FOR THE TREATMENT OF PSYCHIATRIC DISORDERS NEWRON PHARM SPA (IT) 2021-06-16 EP disclosed
US-8445539-B2 Alpha-aminoamide derivatives useful in the treatment of psychiatric disorders NEWRON PHARMACEUTICALS S.P.A. (IT) 2013-05-21 US disclosed
US-20110014304-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSYCHIATRIC DISORDERS NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-01-20 US disclosed
EP-2222290-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSYCHIATRIC DISORDERS Newron Pharmaceuticals S.p.A. (IT) 2010-09-01 EP disclosed
WO-2009080470-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSYCHIATRIC DISORDERS NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-07-02 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-20110014304-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSYCHIATRIC DISORDERS GABBR1, GABBR2, GABRA5 SCN3A 803/4885CYP2D6 2758/4885SPHK2 4354/4885

“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.