SCHEMBL2015497

SCHEMBL2015497

CC1(C)Oc2ccc3nc(C#N)ccc3c2[C@H](O)[C@H]1Br

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.35
ABCB1 P08183 6/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NQO1 P15559 1/20 0.32
KDM4E B2RXH2 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL2015495 1.00 ABCC9 (0.35) ABCC9ABCB1L3MBTL1NQO1KDM4E
SCHEMBL2006998 0.81 L3MBTL1 (0.35) ABCC9L3MBTL1KDM4EIDO1
SCHEMBL12580476 0.80 L3MBTL1 (0.34) L3MBTL1IDO1
SCHEMBL2007554 0.73 ABCB1 (0.50) ABCC9ABCB1IDO1
SCHEMBL2007552 0.73 ABCB1 (0.50) ABCC9ABCB1IDO1
SCHEMBL2875849 0.72 ABCB1 (0.32) ABCC9ABCB1KDM4EIDO1
SCHEMBL2875850 0.72 ABCB1 (0.32) ABCC9ABCB1KDM4EIDO1
SCHEMBL8090417 0.69 KDM4E (0.56) ABCC9ABCB1KDM4E
SCHEMBL8090414 0.69 KDM4E (0.56) ABCC9ABCB1KDM4E
SCHEMBL8090416 0.69 KDM4E (0.56) ABCC9ABCB1KDM4E

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 4 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
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 ABCC9 10/4885ABCB1 647/4885L3MBTL1 1562/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A ABCC9 20/4885ABCB1 580/4885L3MBTL1 1399/4885

“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.