SCHEMBL7102192

SCHEMBL7102192

COC(=O)C1=C(C)NC2=C(C(=O)OCC2)C1c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.50
KCNJ11 Q14654 8/20 0.50
ABCC8 Q09428 6/20 0.50
KCNJ8 Q15842 6/20 0.50
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 4/20 0.43
CASP1 P29466 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CASP7 P55210 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
GUSB P08236 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 2/20 0.40
CACNA1C Q13936 2/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40

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
SCHEMBL7101054 0.87 ABCC9 (0.69) ABCC9KCNJ11ABCC8KCNJ8TSHR
SCHEMBL7018720 0.82 ABCC9 (0.53) ABCC9KCNJ11ABCC8KCNJ8KDM4E
SCHEMBL7095841 0.78 ABCC9 (0.73) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7853155 0.77 ABCC9 (0.74) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6925767 0.73 ABCC9 (0.66) ABCC9KCNJ11ABCC8KCNJ8KDM4E
SCHEMBL9865585 0.73 CYP1A2 (0.58) KDM4EALDH1A1GAAHPGDCYP1A2
SCHEMBL7095780 0.72 ABCC9 (0.69) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7967817 0.72 KDM4E (0.64) KDM4EHSD17B10CASP1ALDH1A1CASP7
SCHEMBL29079158 0.72 TSHR (0.44) ABCC9KCNJ11ABCC8KCNJ8KDM4E
SCHEMBL7101463 0.71 ABCC9 (0.64) ABCC9KCNJ11ABCC8KCNJ8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307453-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2003-05-07 EP disclosed
US-20020099070-A1 Dihydronaphthyridine potassium channel openers ABBOTT LABORATORIES 2002-07-25 US disclosed
WO-2002010164-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-02-07 WO 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-20020099070-A1 Dihydronaphthyridine potassium channel openers KCNH1, KCNN1, KCNJ2 ABCC9 440/4885KCNJ11 8/4885ABCC8 645/4885

“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.