SCHEMBL2008581

SCHEMBL2008581

CC1(C)Oc2ccc3nc(C(N)=O)ccc3c2[C@H](NCCc2ccccc2)[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.42
ABCB1 P08183 3/20 0.41
OPRM1 P35372 2/20 0.37
IDO1 P14902 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ABCC9 O60706 2/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL2008578 1.00 KCNA5 (0.42) KCNA5ABCB1OPRM1IDO1NPC1
SCHEMBL12641459 0.84 KCNA5 (0.44) KCNA5ABCB1IDO1ABCC9
SCHEMBL2010423 0.84 ABCB1 (0.43) KCNA5ABCB1IDO1ABCC9
SCHEMBL2010425 0.84 ABCB1 (0.43) KCNA5ABCB1IDO1ABCC9
SCHEMBL12580466 0.83 ABCB1 (0.42) KCNA5ABCB1IDO1ABCC9
SCHEMBL2007552 0.82 ABCB1 (0.50) KCNA5ABCB1IDO1ABCC9
SCHEMBL2007554 0.82 ABCB1 (0.50) KCNA5ABCB1IDO1ABCC9
SCHEMBL2010594 0.81 ABCB1 (0.44) KCNA5ABCB1IDO1ABCC9
SCHEMBL2009897 0.81 ABCB1 (0.44) KCNA5ABCB1IDO1ABCC9
SCHEMBL3599502 0.81 ABCB1 (0.44) KCNA5ABCB1IDO1ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP 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 (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 KCNA5 101/4885ABCB1 647/4885OPRM1 702/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A KCNA5 67/4885ABCB1 580/4885OPRM1 652/4885

“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.