SCHEMBL133373

SCHEMBL133373

OC(c1cccc(F)c1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPT P10636 1/20 0.41
CD74 P04233 1/20 0.41
MIF P14174 1/20 0.41
BRD4 O60885 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
IGFBP3 P17936 1/20 0.39
CYP1A2 P05177 2/20 0.39
NPC1 O15118 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
Hydrochloric Acid SCHEMBL27656794 0.82 NPC1 (0.48) CES2CES1MAPTLMNAKDM4E
SCHEMBL28770123 0.81 BRD4 (0.50) SLC6A2SLC6A4SLC6A3MAPTMIF
SCHEMBL31067503 0.81 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MAPTBRD4
SCHEMBL17064838 0.81 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MAPTBRD4
SCHEMBL23610045 0.81 SLC6A3 (0.46) SLC6A2SLC6A4SLC6A3MAPTBRD4
SCHEMBL30616701 0.81 SLC6A3 (0.46) SLC6A2SLC6A4SLC6A3MAPTBRD4
SCHEMBL17842469 0.81 SLC6A3 (0.46) SLC6A2SLC6A4SLC6A3MAPTBRD4
SCHEMBL31143671 0.81 SLC6A3 (0.46) SLC6A2SLC6A4SLC6A3MAPTBRD4
SCHEMBL31143772 0.81 SLC6A3 (0.46) SLC6A2SLC6A4SLC6A3MAPTBRD4
SCHEMBL11968461 0.80 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MAPTBRD4

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 US disclosed
US-9296743-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2016-03-29 US disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
US-9073925-B2 Azinone-substituted azabicycloalkane-indole and azabicycloalkane-pyrrolo-pyridine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-07-07 US disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
EP-2476680-B1 (1-Azinone)-Substituted Pyridoindoles ALBANY MOLECULAR RES INC (US) 2014-08-27 EP disclosed
US-20110003739-A1 AZINONE-SUBSTITUTED AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20110003738-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20110003737-A1 AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
WO-2011003005-A1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 WO disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 US disclosed
EP-2240481-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS Albany Molecular Research, Inc. (US) 2010-10-20 EP disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 US disclosed
WO-2009089482-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-07-16 WO disclosed
US-4260623-A Hexahydro-1-arylspiro(3H-oxazolo(3,4-A)pyridine-3,4'-piperidene) antidepressants, pharmaceutical compositions thereof and method of use thereof WARNER-LAMBERT COMPANY (US) 1981-04-07 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 (9 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-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 SLC6A2 2124/4885SLC6A4 2298/4885SLC6A3 892/4885
US-20110003739-A1 AZINONE-SUBSTITUTED AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 SLC6A2 1811/4885SLC6A4 1082/4885SLC6A3 1345/4885
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB SLC6A2 4069/4885SLC6A4 4026/4885SLC6A3 3597/4885
US-20110003738-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 SLC6A2 1556/4885SLC6A4 1121/4885SLC6A3 1063/4885
US-20110003737-A1 AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 SLC6A2 1961/4885SLC6A4 1475/4885SLC6A3 1786/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 SLC6A2 1806/4885SLC6A4 2154/4885SLC6A3 797/4885
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, HTR1E SLC6A2 1192/4885SLC6A4 520/4885SLC6A3 794/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 SLC6A2 2124/4885SLC6A4 2298/4885SLC6A3 892/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 SLC6A2 1806/4885SLC6A4 2154/4885SLC6A3 797/4885

“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.