SCHEMBL964604

SCHEMBL964604

NC(=O)CNCc1cccc(OCc2ccccc2Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.65
SPHK1 Q9NYA1 1/20 0.65
SCN3A Q9NY46 1/20 0.56
NR4A2 P43354 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CD274 Q9NZQ7 1/20 0.53
BCHE P06276 2/20 0.49
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAOB P27338 2/20 0.46
GCK P35557 1/20 0.45
MAOA P21397 1/20 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
SCHEMBL966191 0.86 SCN3A (0.73) SPHK2SPHK1SCN3ANR4A2TP53
SCHEMBL963826 0.86 SCN3A (0.76) SPHK2SPHK1SCN3ACD274BCHE
SCHEMBL964037 0.83 SPHK2 (0.67) SPHK2SPHK1NR4A2NPC1RAB9A
SCHEMBL964385 0.81 MAOB (0.59) NR4A2NPC1RAB9ACD274MAOB
SCHEMBL8985630 0.80 TP53 (0.58) SPHK2SPHK1NR4A2NPC1RAB9A
SCHEMBL964244 0.78 SPHK2 (0.67) SPHK2SPHK1SCN3ANR4A2MAOB
SCHEMBL87713 0.77 MAOB (0.59) SCN3ANR4A2RAB9ABCHETP53
SCHEMBL4638863 0.76 NR4A2 (0.77) SPHK2SPHK1NR4A2NPC1RAB9A
SCHEMBL4584070 0.75 MEN1 (0.65) SPHK2SPHK1
SCHEMBL20314087 0.75 PRMT5 (0.55) SPHK2SPHK1NR4A2NPC1RAB9A

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 SPHK2 4354/4885SPHK1 4298/4885SCN3A 803/4885

“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.