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Sugi Predict / Compounds / SCHEMBL863131

SCHEMBL863131

SCHEMBL863131

CCOC(=O)c1c(C(C)C)nn(C)c1C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.39
▸ NR1I2 O75469 6/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PRKCA P17252 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ SCN5A Q14524 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 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
SCHEMBL862682 0.92 KCNH2 (0.38) KCNH2NR1I2ATMCYP3A4SCN5A
SCHEMBL271760 0.92 KCNH2 (0.40) KCNH2NR1I2ATMPRKCAMMP12
SCHEMBL862683 0.90 KCNH2 (0.50) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL862710 0.86 KCNH2 (0.37) KCNH2NR1I2PRKCAMMP12CYP3A4
SCHEMBL863075 0.86 KCNH2 (0.39) KCNH2NR1I2PRKCAMMP12CYP3A4
SCHEMBL863090 0.85 KCNH2 (0.38) KCNH2NR1I2PRKCAMMP12CYP3A4
SCHEMBL862760 0.85 KCNH2 (0.38) KCNH2NR1I2PRKCAMMP12CYP3A4
SCHEMBL272673 0.85 KCNH2 (0.38) KCNH2NR1I2ATMCYP3A4SCN5A
SCHEMBL862935 0.84 KCNH2 (0.38) KCNH2NR1I2PRKCAMMP12CYP3A4
SCHEMBL862910 0.84 KCNH2 (0.52) KCNH2NR1I2CYP3A4SCN5ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143243-B2 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylcarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[2-(4-morpholinylcarbonyl)phenyl]-, 1,1-dimethylethyl ester BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed
US-8143243-B2 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylcarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[2-(4-morpholinylcarbonyl)phenyl]-, 1,1-dimethylethyl ester BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed
WO-2010093359-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-19 — — WO disclosed
US-20090275561-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 — — US disclosed
US-20090275561-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 — — 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-20090275561-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KCNH2 3808/4885NR1I2 189/4885ATM 4627/4885

“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.