SCHEMBL964037

SCHEMBL964037

NC(=O)CNCc1cccc(OCc2cccc(Cl)c2)c1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.67
SPHK1 Q9NYA1 1/20 0.67
GID4 Q8IVV7 1/20 0.60
NR4A2 P43354 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53
PKM P14618 1/20 0.53
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52

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
SCHEMBL962597 0.90 GID4 (0.73) SPHK2SPHK1GID4MAOAMAOB
Hydrochloric Acid SCHEMBL9127887 0.89 GID4 (0.71) SPHK2SPHK1GID4MAOAMAOB
SCHEMBL9903566 0.87 HDAC1 (0.56) SPHK2SPHK1GID4
SCHEMBL964244 0.85 SPHK2 (0.67) SPHK2SPHK1NR4A2MAOAMAOB
SCHEMBL964604 0.83 SPHK2 (0.65) SPHK2SPHK1NR4A2MAOAMAOB
SCHEMBL69355 0.81 MAOB (0.60) SPHK2SPHK1GID4MAOAMAOB
SCHEMBL966003 0.80 MAOB (0.62) NR4A2MAOAMAOBPKM
SCHEMBL17894461 0.80 NPC1 (0.55) GID4NR4A2MAOAMAOBNPC1
SCHEMBL7396470 0.79 GID4 (0.78) SPHK2SPHK1GID4NR4A2MAOA
SCHEMBL9117138 0.79 BCHE (0.52) SPHK2SPHK1GID4NR4A2MAOA

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 4298/4885GID4 689/4885

“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.