SCHEMBL6369348

SCHEMBL6369348

CC1(C)C=C(c2cccc[n+]2[O-])c2cc(C#N)ccc2O1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 4/20 0.62
ABCC8 Q09428 2/20 0.62
KCNJ11 Q14654 2/20 0.62
KCNJ8 Q15842 2/20 0.62
ABCB1 P08183 4/20 0.33
OPRD1 P41143 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MALT1 Q9UDY8 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
SCHEMBL9524977 0.87 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8ABCB1
SCHEMBL9525765 0.86 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8ABCB1
SCHEMBL8311739 0.84 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8OPRD1
SCHEMBL9527685 0.84 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8ABCB1
SCHEMBL8130002 0.83 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8OPRD1
SCHEMBL9525790 0.83 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9525211 0.83 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8ABCB1
SCHEMBL9527732 0.82 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9527811 0.82 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8ABCB1
SCHEMBL9527792 0.82 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298452-B1 2H-1-BENZOPYRANE DERIVATIVES SUBSTITUTED IN POSITION 4 BY ARYL OR N-HETEROARYL F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP claimed
US-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-01-13 US disclosed
US-6037479-A USEFUL IN ENANTIOSELECTIVE REACTIONS AND WHICH GIVE RISE TO IMPROVED OPTICAL YIELDS HOFFMAN-LA ROCHE INC. (US) 2000-03-14 US disclosed
WO-1999001453-A1 A PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE CHROMANYLPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed
US-5118694-A Hypotensive agents; treatment for cardiovascular and muscular disorders HOFFMANN-LA ROCHE INC. (US) 1992-06-02 US disclosed
US-4971982-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, SMOOTH MUSCLE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-11-20 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 (1 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-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage KCNJ2, KCNN2, KCNK2 ABCC9 633/4885ABCC8 1479/4885KCNJ11 38/4885

“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.