SCHEMBL2009582

SCHEMBL2009582

CN1C(=O)COc2cc3c(cc21)OC(C)(C)C(O)C3NCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.42
KCNA5 P22460 7/20 0.42
IDO1 P14902 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
TSHR P16473 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL2876669 1.00 ABCB1 (0.42) ABCB1KCNA5IDO1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL2888914 0.99 ABCB1 (0.41) ABCB1KCNA5IDO1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL2879891 0.99 ABCB1 (0.41) ABCB1KCNA5IDO1SMN1; SMN2TP53
SCHEMBL2009194 0.81 TP53 (0.47) ABCB1KCNA5SMN1; SMN2TP53ALDH1A1
SCHEMBL2869709 0.81 TP53 (0.47) ABCB1KCNA5SMN1; SMN2TP53ALDH1A1
SCHEMBL3583727 0.79 ABCB1 (0.38) ABCB1KCNA5SMN1; SMN2ALDH1A1HTR1A
SCHEMBL2010054 0.79 TP53 (0.47) ABCB1KCNA5SMN1; SMN2TP53ALDH1A1
SCHEMBL2013291 0.79 TP53 (0.47) ABCB1KCNA5SMN1; SMN2TP53ALDH1A1
SCHEMBL13093985 0.79 KCNA5 (0.43) ABCB1KCNA5IDO1SMN1; SMN2TP53
SCHEMBL12580764 0.77 ABCB1 (0.41) ABCB1KCNA5IDO1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US 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
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO 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 (2 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 101/4885IDO1 2850/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A ABCB1 580/4885KCNA5 67/4885IDO1 3364/4885

“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.