SCHEMBL3548958

SCHEMBL3548958

[CH2]c1c[nH]c2cc(OC)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HTR2A P28223 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
HTR6 P50406 1/20 0.53
TUBB1 Q9H4B7 2/20 0.51
GPR84 Q9NQS5 1/20 0.49
GSK3B P49841 2/20 0.48
DYRK1A Q13627 2/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
NPC1 O15118 1/20 0.47
APOBEC3A P31941 1/20 0.47
RAB9A P51151 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HTR2B P41595 1/20 0.46

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
SCHEMBL6290566 0.85 GPR84 (0.62) MAPTALDH1A1KDM4EHTR2AMEN1
SCHEMBL1120777 0.79 KDM4E (0.60) MAPTALDH1A1KDM4EHTR2AMEN1
SCHEMBL27795869 0.78 MAPT (0.58) MAPTALDH1A1KDM4EHTR2AMEN1
SCHEMBL27690773 0.78 HTR2A (0.59) MAPTALDH1A1KDM4EHTR2AMEN1
SCHEMBL29162323 0.78 MAPT (0.58) MAPTALDH1A1KDM4EHTR2AMEN1
SCHEMBL5730817 0.78 MAPT (0.58) MAPTALDH1A1KDM4EHTR2AMEN1
SCHEMBL2125628 0.77 HTR2A (0.68) MAPTALDH1A1KDM4EHTR2AMEN1
SCHEMBL20354878 0.77 MAPT (0.58) MAPTALDH1A1KDM4EHTR2AMEN1
SCHEMBL27911671 0.76 GPR84 (0.75) MAPTALDH1A1KDM4EHTR2AMEN1
SCHEMBL8377078 0.75 HTR2A (0.69) MAPTALDH1A1KDM4EHTR2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 disclosed
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 disclosed
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 disclosed
US-7279496-B2 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) 2007-10-09 US disclosed
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 disclosed
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 disclosed
US-20040142935-A1 Dihydroimidazo[4,5-e]indole and 7h-pyrrolo[3,2-f]quinoxaline derivatives as nicotinic acetylcholine receptor liqands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2004-07-22 US disclosed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
CN-1171788-A Therapeutic agent for osteoporosis and triaza * compound JAPAN TOBACCO INC (JP) 1998-01-28 CN disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP 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 MAPT 449/4885ALDH1A1 2637/4885KDM4E 2577/4885
US-20040142935-A1 Dihydroimidazo[4,5-e]indole and 7h-pyrrolo[3,2-f]quinoxaline derivatives as nicotinic acetylcholine receptor liqands and/or serotonergic ligands CHRNA5, HTR5A, CHRNA4 MAPT 700/4885ALDH1A1 3223/4885KDM4E 1564/4885
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 MAPT 391/4885ALDH1A1 3084/4885KDM4E 2585/4885

“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.