SCHEMBL171808

SCHEMBL171808

Cc1ccc(N2CCOCC2)c(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
ALDH1A1 P00352 3/20 0.50
PRKDC P78527 1/20 0.50
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 1/20 0.48
ACP1 P24666 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL22864690 0.83 MAPT (0.53) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL12385911 0.81 ALDH1A1 (0.69) MAPTALDH1A1PRKDCLMNASMN1; SMN2
SCHEMBL12386115 0.81 ALDH1A1 (0.56) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL12864867 0.80 MAPT (0.64) MAPTALDH1A1PRKDCLMNASMN1; SMN2
SCHEMBL21388461 0.80 HTR1A (0.48) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL24252914 0.79 MAPT (0.56) MAPTPRKDCLMNASMN1; SMN2ACP1
SCHEMBL9906943 0.79 ALDH1A1 (0.67) ALDH1A1PRKDCLMNASMN1; SMN2HPGD
SCHEMBL2744374 0.79 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2ACP1
SCHEMBL3723011 0.79 ALDH1A1 (0.59) MAPTALDH1A1PRKDCLMNASMN1; SMN2
SCHEMBL14612464 0.79 ALDH1A1 (0.50) MAPTALDH1A1PRKDCLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
EP-2426125-A1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
US-7220765-B2 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 2007-05-22 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-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 MAPT 2624/4885ALDH1A1 2839/4885PRKDC 4384/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 MAPT 2635/4885ALDH1A1 2815/4885PRKDC 4390/4885
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES NR4A1, NR4A3, NR0B1 MAPT 4405/4885ALDH1A1 1585/4885PRKDC 4836/4885

“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.