SCHEMBL2523922

SCHEMBL2523922

C=CCc1cccc2s[c]nc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
AKR1B1 P15121 1/20 0.32
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL5006019 0.77 PNMT (0.35)
SCHEMBL558657 0.77 MEN1 (0.38) GABRA1GABRB2MEN1KMT2AALDH1A1
SCHEMBL5067880 0.71 GABRA1 (0.41) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL11498977 0.71 GABRA1 (0.41) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL10411212 0.70
SCHEMBL14696799 0.69 PSMB8 (0.55) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL2360344 0.69 GABRA1 (0.46) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL28532339 0.69 GABRA1 (0.39) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL3798167 0.69 GABRA1 (0.39) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL9412069 0.69 ALDH1A1 (0.51) GABRA1GABRB2MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855471-B1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-11-15 EP claimed
US-20150322089-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-12 US claimed
EP-2855471-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2015-04-08 EP claimed
WO-2013177024-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-28 WO claimed
US-8455866-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-06-04 US claimed
US-8384074-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-02-26 US claimed
US-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD (KR) 2011-10-06 US claimed
US-20110240977-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-10-06 US claimed
US-7544808-B2 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US claimed
EP-1703797-A4 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP claimed
EP-1703797-A2 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-κB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2006-09-27 EP claimed
CN-1738814-A Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORP (US) 2006-02-22 CN claimed
US-6995181-B2 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB CO. (US) 2006-02-07 US claimed
US-6969728-B2 Antiinflammatory agents GENZYME CORPORATION (US) 2005-11-29 US claimed
US-20050187242-A1 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2005-08-25 US claimed
WO-2005072132-A2 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-κB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-11 WO claimed
US-20050171136-A1 Modulators of the glucocorticoid receptor and method VACCARO WAYNE (US) 2005-08-04 US claimed
EP-1534273-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD Bristol-Myers Squibb Company (US) 2005-06-01 EP claimed
US-20040132758-A1 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US claimed
WO-2004009017-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, IDO1, NOD1 GABRA1 4608/4885GABRB2 4853/4885MEN1 630/4885
US-20110240977-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME IDO1, LEF1, TPH1 GABRA1 4603/4885GABRB2 4850/4885MEN1 659/4885
US-20050187242-A1 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NFRKB, NFKBIA, NFKB1 GABRA1 990/4885GABRB2 1004/4885MEN1 4388/4885
US-20150322089-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA2, CHRNA1 GABRA1 244/4885GABRB2 334/4885MEN1 3177/4885
US-20040132758-A1 Modulators of the glucocorticoid receptor and method NR3C1, NR3C2, MC2R GABRA1 237/4885GABRB2 254/4885MEN1 4737/4885
US-20050171136-A1 Modulators of the glucocorticoid receptor and method NR3C1, MC2R, NR3C2 GABRA1 342/4885GABRB2 389/4885MEN1 4667/4885

“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.