SCHEMBL862745

SCHEMBL862745

CCn1ncc(C(=O)N2CCOCC2)c1C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)N4CCOCC4)cc3n2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.46
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
KCNH2 Q12809 3/20 0.36
CYP3A4 P08684 1/20 0.36
SCN5A Q14524 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CNR2 P34972 1/20 0.35
CNR1 P21554 1/20 0.35
PDE4B Q07343 2/20 0.35
SCN9A Q15858 1/20 0.35
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL862664 0.96 NR1I2 (0.45) NR1I2ALDH1A1POLBKCNH2CYP3A4
SCHEMBL862627 0.93 NR1I2 (0.43) NR1I2ALDH1A1POLBKCNH2CYP3A4
SCHEMBL862642 0.91 NR1I2 (0.61) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL863114 0.91 NR1I2 (0.50) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL863115 0.91 NR1I2 (0.50) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL862635 0.88 NR1I2 (0.46) NR1I2ALDH1A1POLBKCNH2CYP3A4
SCHEMBL862636 0.86 NR1I2 (0.45) NR1I2ALDH1A1POLBKCNH2CYP3A4
SCHEMBL862655 0.84 NR1I2 (0.48) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL862742 0.84 NR1I2 (0.52) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL862966 0.84 KCNH2 (0.43) NR1I2KCNH2CYP3A4SCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183252-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP 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
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-7652004-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-7652004-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US 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
US-20090074715-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20090074715-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
WO-2009029384-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-05 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 (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-20090074715-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NR1I2 189/4885ALDH1A1 163/4885POLB 1276/4885
US-20090275561-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NR1I2 189/4885ALDH1A1 163/4885POLB 1276/4885

“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.