SCHEMBL2006800

SCHEMBL2006800

Cc1cc(CO)nc2cc3c(cc12)OC(C)(C)C(O)C3NCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.42
KCNA5 P22460 8/20 0.40
ABCC9 O60706 2/20 0.35
IDO1 P14902 2/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL29451096 1.00 ABCB1 (0.42) ABCB1KCNA5ABCC9IDO1KDM4E
SCHEMBL113139 1.00 ABCB1 (0.42) ABCB1KCNA5ABCC9IDO1KDM4E
SCHEMBL25373810 1.00 ABCB1 (0.42) ABCB1KCNA5ABCC9IDO1KDM4E
SCHEMBL2005278 0.92 ABCB1 (0.41) ABCB1KCNA5ABCC9IDO1
SCHEMBL2881018 0.92 ABCB1 (0.41) ABCB1KCNA5ABCC9IDO1
SCHEMBL2875626 0.91 KCNA5 (0.34) ABCB1KCNA5ABCC9
SCHEMBL2004908 0.91 KCNA5 (0.34) ABCB1KCNA5ABCC9
SCHEMBL19261674 0.90 KCNA5 (0.45) ABCB1KCNA5ABCC9KDM4EALDH1A1
SCHEMBL2011038 0.90 ABCB1 (0.44) ABCB1KCNA5ABCC9IDO1KDM4E
SCHEMBL2889432 0.90 ABCB1 (0.44) ABCB1KCNA5ABCC9IDO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP claimed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US claimed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US claimed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP claimed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO claimed
US-9738654-B2 Method for producing nitrogen-containing heterocyclic N-oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-22 US disclosed
US-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2016-06-16 US disclosed
US-20150266887-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROCYCLIC N-OXIDE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-09-24 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 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 (4 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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 ABCB1 647/4885KCNA5 101/4885ABCC9 10/4885
US-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NAT10 ABCB1 2844/4885KCNA5 630/4885ABCC9 1919/4885
US-20150266887-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROCYCLIC N-OXIDE COMPOUND NOS3, NOS2, SQOR ABCB1 3853/4885KCNA5 428/4885ABCC9 2611/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A ABCB1 580/4885KCNA5 67/4885ABCC9 20/4885

“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.