SCHEMBL994279

SCHEMBL994279

CC(C)(C)[C@@H](N)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.62
MAOA P21397 2/20 0.62
SCN9A Q15858 1/20 0.62
GRM5 P41594 1/20 0.58
PARP10 Q53GL7 1/20 0.54
PPARA Q07869 1/20 0.53
NR4A2 P43354 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
SCHEMBL8935244 0.88 MAOB (0.69) MAOBMAOASCN9AGRM5PARP10
SCHEMBL14323980 0.88 MAOB (0.69) MAOBMAOASCN9AGRM5PARP10
SCHEMBL993729 0.85 GRM5 (0.59) MAOBMAOASCN9AGRM5PARP10
Hydrochloric Acid SCHEMBL30001586 0.83 MAOB (0.60) MAOBMAOASCN9APARP10PPARA
SCHEMBL993430 0.82 GRM5 (0.55) MAOBMAOASCN9AGRM5PARP10
SCHEMBL992642 0.81 GRM5 (0.56) MAOBMAOASCN9AGRM5PPARA
SCHEMBL992772 0.81 MAOB (0.60) MAOBMAOASCN9AGRM5PPARA
SCHEMBL993070 0.80 MAOB (0.65) MAOBMAOASCN9AGRM5PARP10
SCHEMBL994999 0.80 MAOB (0.65) MAOBMAOASCN9AGRM5PARP10
SCHEMBL993071 0.80 MAOB (0.65) MAOBMAOASCN9AGRM5PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933065-B2 N-benzylamide substituted derivatives of 2-(acylamido)acetic acid and 2-(acylamido)propionic acids: potent neurological agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-01-13 US disclosed
US-20140342989-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-20 US disclosed
US-8829033-B2 N-benzylamide substituted derivatives of 2-(acylamido)acetic acid and 2-(acylamido)propionic acids: potent neurological agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-09 US disclosed
US-20120232015-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-09-13 US disclosed
US-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2011-01-27 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 (3 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-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, GBA1 MAOB 394/4885MAOA 252/4885SCN9A 135/4885
US-20140342989-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, APEH MAOB 312/4885MAOA 277/4885SCN9A 106/4885
US-20120232015-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, APEH MAOB 327/4885MAOA 274/4885SCN9A 108/4885

“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.