SCHEMBL2875990

SCHEMBL2875990

CCCCCNC1c2cc(N)c(N)cc2OC(C)(C)C1O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
ABCB1 P08183 5/20 0.38
GBA1 P04062 5/20 0.36
ABCC9 O60706 1/20 0.34
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
KCNA5 P22460 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 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
SCHEMBL2875994 1.00 IDO1 (0.42) IDO1ABCB1GBA1ABCC9KCNE1
SCHEMBL6807906 0.85 CYP1A2 (0.43) IDO1ABCB1KCNA5
SCHEMBL6807914 0.85 CYP1A2 (0.43) IDO1ABCB1KCNA5
SCHEMBL12580635 0.81 IDO1 (0.40) IDO1ABCB1GBA1ABCC9KCNE1
Hydrochloric Acid SCHEMBL2883647 0.81 IDO1 (0.39) IDO1ABCB1GBA1ABCC9KCNE1
Hydrochloric Acid SCHEMBL2883645 0.81 IDO1 (0.39) IDO1ABCB1GBA1ABCC9KCNE1
SCHEMBL2007814 0.79 ABCB1 (0.51) IDO1ABCB1ABCC9KCNA5
SCHEMBL2878003 0.77 ABCB1 (0.40) ABCB1ABCC9KCNE1KCNQ1KCNA5
SCHEMBL2878005 0.77 ABCB1 (0.40) ABCB1ABCC9KCNE1KCNQ1KCNA5
SCHEMBL2888796 0.76 ABCB1 (0.41) IDO1ABCB1KCNA5

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
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 IDO1 2850/4885ABCB1 647/4885GBA1 3830/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A IDO1 3364/4885ABCB1 580/4885GBA1 4231/4885

“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.