SCHEMBL992664

SCHEMBL992664

N#Cc1ccc(OCCc2ccccc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.49
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
SLC6A4 P31645 1/20 0.43
MMP2 P08253 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
AOC3 Q16853 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL993614 0.85 MAOB (0.61) MAOBMAPTPARP15PARP14PARP10
SCHEMBL15079868 0.84 CYP1A2 (0.53) MAOBTAAR1AOC3PARP15PARP14
SCHEMBL15079903 0.82 MAOB (0.47) MAOBTAAR1ALDH1A1MAPTSLC6A4
SCHEMBL5542124 0.81 MAOB (0.46) MAOBTAAR1AOC3PARP15PARP14
SCHEMBL20360954 0.79 MAOB (0.47) MAOBTAAR1PARP15PARP14PARP10
SCHEMBL15079383 0.79 MAOB (0.51) MAOBTAAR1ALDH1A1MAPTPARP15
SCHEMBL3714917 0.77 MAOB (0.68) MAOBMMP2
SCHEMBL15079380 0.77 MAOB (0.56) MAOBTAAR1ALDH1A1MAPTL3MBTL1
SCHEMBL993292 0.77 MAOB (0.73) MAOBTAAR1SIRT2
SCHEMBL5217402 0.76 LMNA (0.43) MAOBTAAR1ALDH1A1MAPTL3MBTL1

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 7 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
EP-2509939-A2 NOVEL N-BENZYLAMIDE SUBSTITUED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACY-LAMIDO) PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS The University of North Carolina At Chapel Hill (US) 2012-10-17 EP 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
WO-2011037833-A2 NOVEL 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) 2011-03-31 WO 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 394/4885TAAR1 1216/4885ALDH1A1 253/4885
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 312/4885TAAR1 1227/4885ALDH1A1 262/4885
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 327/4885TAAR1 1219/4885ALDH1A1 263/4885

“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.