SCHEMBL3287791

SCHEMBL3287791

CC(NCc1cccc(OCc2ccccc2)c1)C(N)=O

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.64
MAOA P21397 3/20 0.64
SCN9A Q15858 1/20 0.64
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CD274 Q9NZQ7 1/20 0.58
BCHE P06276 1/20 0.56

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
SCHEMBL7396648 1.00 MAOB (0.64) MAOBMAOASCN9AMEN1KMT2A
SCHEMBL7390171 0.88 SCN9A (0.70) MAOBMAOASCN9ABCHE
SCHEMBL7390166 0.88 SCN9A (0.70) MAOBMAOASCN9ABCHE
SCHEMBL966003 0.88 MAOB (0.62) MAOBMAOASCN9A
SCHEMBL965324 0.88 MAOB (0.83) MAOBMAOASCN9A
SCHEMBL964409 0.88 MAOB (0.83) MAOBMAOASCN9A
SCHEMBL963797 0.88 MAOB (0.83) MAOBMAOASCN9A
SCHEMBL4456855 0.87 MAOB (0.74) MAOBMAOASCN9ABCHE
SCHEMBL1070615 0.87 MAOB (0.74) MAOBMAOASCN9ABCHE
SCHEMBL7403715 0.87 MAOB (0.74) MAOBMAOASCN9ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132567-A1 Alpha-Aminoamide Derivatives Useful in the Treatment of Lower Urinary Tract Disorders NEWRON PHARMACUETICALS S.P.A (IT) 2008-06-05 US claimed
CN-1956714-A Alpha-aminoamide derivatives for the treatment of lower urinary tract disorders NEWRON PHARM SPA (IT) 2007-05-02 CN claimed
WO-2005070405-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF LOWER URINARY TRACT DISORDERS NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-08-04 WO claimed
EP-1557166-A1 Alpha-aminoamide derivatives useful in the treatment of lower urinary tract disorders Newron Pharmaceuticals S.p.A. (IT) 2005-07-27 EP claimed
US-7718815-B2 Alpha-aminoamide derivatives useful in the treatment of lower urinary tract disorders NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-05-18 US disclosed
CN-100584323-C Alpha-aminoamide derivatives useful in the treatment of lower urinary tract disorders NEWRON PHARM SPA 2010-01-27 CN disclosed
US-20080132567-A1 Alpha-Aminoamide Derivatives Useful in the Treatment of Lower Urinary Tract Disorders NEWRON PHARMACUETICALS S.P.A (IT) 2008-06-05 US disclosed
CN-1956714-A Alpha-aminoamide derivatives for the treatment of lower urinary tract disorders NEWRON PHARM SPA (IT) 2007-05-02 CN disclosed
WO-2005070405-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF LOWER URINARY TRACT DISORDERS NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-08-04 WO disclosed
EP-1557166-A1 Alpha-aminoamide derivatives useful in the treatment of lower urinary tract disorders Newron Pharmaceuticals S.p.A. (IT) 2005-07-27 EP disclosed
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed
US-5391577-A Active on central nervous system; antiepileptic agents FARMITALIA CARLO ERBA S R L (IT) 1995-02-21 US disclosed
EP-0400495-B1 N-phenylalkyl substituted alpha-amino carboxamide derivatives and process for their preparation. ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5236957-A Antiepileptic agents FARMITALIA CARLO ERBA SRL (IT) 1993-08-17 US disclosed
EP-0426816-A1 N-PHENYLALKYL SUBSTITUTED $g(a)-AMINO CARBOXAMIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-15 EP disclosed
EP-0400495-A1 N-phenylalkyl substituted alfa-amino carboxamide derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1990-12-05 EP disclosed
WO-1990014334-A1 N-PHENYLALKYL SUBSTITUTED α-AMINO CARBOXAMIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1990-11-29 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-20080132567-A1 Alpha-Aminoamide Derivatives Useful in the Treatment of Lower Urinary Tract Disorders AADAT, BCAT2, DNPEP MAOB 362/4885MAOA 295/4885SCN9A 2174/4885

“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.