SCHEMBL1120777

SCHEMBL1120777

COc1ccc2c(C)c[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 2/20 0.60
RXFP1 Q9HBX9 1/20 0.57
HTR2A P28223 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CDK4 P11802 1/20 0.55
CCND1 P24385 1/20 0.55
HTR6 P50406 1/20 0.54
TUBB1 Q9H4B7 2/20 0.53
GPR84 Q9NQS5 1/20 0.50
GSK3B P49841 2/20 0.49
DYRK1A Q13627 2/20 0.49
ATM Q13315 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
NPC1 O15118 1/20 0.48
APOBEC3A P31941 1/20 0.48
RAB9A P51151 1/20 0.48

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
Formic Acid SCHEMBL27940174 0.90 KDM4E (0.63) KDM4EALDH1A1MAPTRXFP1HTR2A
SCHEMBL736956 0.85 GPR84 (0.64) KDM4EALDH1A1MAPTHTR2AMEN1
SCHEMBL434877 0.85 GPR84 (0.64) KDM4EALDH1A1MAPTHTR2AMEN1
SCHEMBL8291070 0.80 ALDH1A1 (0.47) KDM4EALDH1A1MAPTRXFP1HTR2A
SCHEMBL3548958 0.79 MAPT (0.58) KDM4EALDH1A1MAPTHTR2AMEN1
SCHEMBL29162323 0.79 MAPT (0.58) KDM4EALDH1A1MAPTHTR2AMEN1
SCHEMBL27690773 0.79 HTR2A (0.59) KDM4EALDH1A1MAPTHTR2AMEN1
SCHEMBL5730817 0.79 MAPT (0.58) KDM4EALDH1A1MAPTHTR2AMEN1
SCHEMBL27795869 0.79 MAPT (0.58) KDM4EALDH1A1MAPTHTR2AMEN1
SCHEMBL27911671 0.78 GPR84 (0.75) KDM4EALDH1A1MAPTHTR2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114014859-A Triazole indolol compound and synthesis method thereof 绍兴文理学院 2022-02-08 CN claimed
US-7741343-B2 6H-oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2010-06-22 US claimed
EP-1383774-B1 DIHYDROIMIDAZO¬4,5-E INDOLE AND 7H-PYRROLO¬3,2-F QUINOXALINE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GMBH (DE) 2008-05-07 EP claimed
US-20080051394-A1 6H-Oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands SCHIEMANN KAI 2008-02-28 US claimed
US-7291633-B2 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2007-11-06 US claimed
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2005-05-12 US claimed
EP-1392699-B1 6H-OXAZOLO 4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GMBH (DE) 2005-03-16 EP claimed
EP-1392699-A1 6H-OXAZOLO 4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GmbH (DE) 2004-03-03 EP claimed
WO-2002088139-A1 6H-OXAZOLO[4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GMBH (DE) 2002-11-07 WO claimed
CN-114014859-A Triazole indolol compound and synthesis method thereof 绍兴文理学院 2022-02-08 CN disclosed
CN-110437236-B Indole-1, 2-and 1, 4-benzodiazepine compound and synthetic method thereof 青岛农业大学 2020-08-18 CN disclosed
CN-110437236-A A kind of indoles -1,2- and 1,4- benzodiazepine compounds and its synthetic method UNIV QINGDAO AGRICULTURAL 2019-11-12 CN disclosed
US-20190270778-A1 Cyclic Peptides As C5a Receptor Antagonists PFIZER INC. (US) 2019-09-05 US disclosed
EP-2443123-B1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS INC (US) 2017-04-05 EP disclosed
EP-0373110-A2 Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY AG (CH) 1990-06-13 EP disclosed
US-4876357-A FOR PRESSURE AND HEAT SENSITIVE ELEMENTS CIBA-GEIGY CORPORATION (US) 1989-10-24 US disclosed
EP-0266310-A1 Chromogenic phthalides and azaphthalides CIBA-GEIGY AG (CH) 1988-05-04 EP disclosed
EP-0228825-A1 6,7,8,9-Tetrahydro-10-methylpyrido [1,2-a]indol-9-amines and derivatives thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1987-07-15 EP disclosed
US-4665183-A Process for preparing 6,7,8,9-tetrahydro-10-methylpyrido[1,2-a]indol-9-amines and derivatives thereof useful for the treatment of cognitive impairments AMERICAN HOME PRODUCTS CORP. (US) 1987-05-12 US disclosed
US-4624954-A 6,7,8,9-tetrahydro-10-methylpyrido[1,2-a]indol-9-amines and derivatives thereof, useful for the treatment of cognitive impairments AMERICAN HOME PRODUCTS CORPORATION (US) 1986-11-25 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-20080051394-A1 6H-Oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 KDM4E 2577/4885ALDH1A1 2637/4885MAPT 449/4885
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 KDM4E 2585/4885ALDH1A1 3084/4885MAPT 391/4885
US-20190270778-A1 Cyclic Peptides As C5a Receptor Antagonists C3AR1, C5AR1, C5AR2 KDM4E 4412/4885ALDH1A1 3891/4885MAPT 4259/4885

“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.