SCHEMBL2878756

SCHEMBL2878756

CC1(C)Oc2cc(N)c(N)cc2[C@H](N)[C@H]1O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 2/20 0.32
▸ KCNE1 P15382 5/20 0.31
▸ KCNQ1 P51787 5/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2878754 1.00 ABCC9 (0.32) ABCC9KCNE1KCNQ1CYP1A2CYP2C9
SCHEMBL9661045 0.81 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19
SCHEMBL7402368 0.77 ABCC9 (0.32) ABCC9
SCHEMBL2889227 0.77 ABCC9 (0.30) ABCC9
SCHEMBL9197844 0.76 HTR1A (0.39) ABCC9KCNE1KCNQ1CYP1A2CYP2C19
SCHEMBL9197856 0.76 HTR1A (0.39) ABCC9KCNE1KCNQ1CYP1A2CYP2C19
SCHEMBL9197846 0.76 HTR1A (0.39) ABCC9KCNE1KCNQ1CYP1A2CYP2C19
SCHEMBL9032549 0.75 KCNE1 (0.56) ABCC9KCNE1KCNQ1
SCHEMBL9530286 0.75 KCNE1 (0.53) ABCC9KCNE1KCNQ1KDM4E
SCHEMBL9032544 0.75 KCNE1 (0.56) ABCC9KCNE1KCNQ1

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 ABCC9 10/4885KCNE1 115/4885KCNQ1 810/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A ABCC9 20/4885KCNE1 71/4885KCNQ1 576/4885

“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.

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