SCHEMBL889343

SCHEMBL889343

COC(=O)N[C@H](C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c(C)n4)cc3)cc2)c[nH]1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.42
CYP2C9 P11712 6/20 0.41
NR1I2 O75469 2/20 0.40
KCNH2 Q12809 2/20 0.40
ABCB11 O95342 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 2/20 0.36
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
ELANE P08246 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
SCHEMBL17066300 0.96 CYP3A4 (0.45) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL17066336 0.95 CYP3A4 (0.44) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL17066342 0.93 CYP3A4 (0.42) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL17066339 0.91 CYP3A4 (0.43) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL15992705 0.89 CYP3A4 (0.55) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL17066337 0.88 CYP3A4 (0.39) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL16062558 0.87 CYP3A4 (0.43) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL12436388 0.87 CYP3A4 (0.37) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL17066319 0.87 CYP3A4 (0.55) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL17066327 0.87 CYP3A4 (0.42) CYP3A4CYP2C9NR1I2KCNH2ABCB11

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-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP3A4 241/4885CYP2C9 394/4885NR1I2 353/4885

“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.