SCHEMBL4849968

SCHEMBL4849968

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1(C(=O)O)CC1c1cc(O)ccc1-3

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 9/20 0.51
KCNH2 Q12809 7/20 0.49
CYP3A4 P08684 3/20 0.48
SCN5A Q14524 2/20 0.48
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
SCN9A Q15858 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL4510733 0.91 KCNH2 (0.53) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14110712 0.89 NR1I2 (0.49) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL3928566 0.88 KCNH2 (0.63) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4492772 0.88 KCNH2 (0.63) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14567253 0.87 KCNH2 (0.64) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4853581 0.85 NR1I2 (0.54) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14567261 0.83 NR1I2 (0.55) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13936719 0.83 NR1I2 (0.51) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13841676 0.82 NR1I2 (0.49) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13936937 0.81 KCNH2 (0.63) NR1I2KCNH2CYP3A4SCN5ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399758-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-07-15 US disclosed
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 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-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors ZC3HAV1, CYP3A5, SLC10A1 NR1I2 201/4885KCNH2 934/4885CYP3A4 41/4885

“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.