SCHEMBL888931

SCHEMBL888931

COC(=O)N[C@H](C(=O)N1CCC[C@@H]1CC(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.47
CYP2C9 P11712 5/20 0.47
NR1I2 O75469 2/20 0.47
ABCB11 O95342 1/20 0.47
OPRK1 P41145 1/20 0.47
KCNH2 Q12809 1/20 0.47
DPP4 P27487 3/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 2/20 0.42
ELANE P08246 2/20 0.39
PREP P48147 1/20 0.38

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
SCHEMBL888863 1.00 CYP3A4 (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888904 0.96 CYP3A4 (0.44) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888938 0.96 CYP3A4 (0.44) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888928 0.92 CYP3A4 (0.42) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888917 0.92 CYP3A4 (0.42) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL5992389 0.88 CYP3A4 (0.48) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL13014834 0.87 CYP3A4 (0.46) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12824302 0.87 CYP3A4 (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12824295 0.87 CYP3A4 (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL13062656 0.86 CYP3A4 (0.49) CYP3A4CYP2C9NR1I2ABCB11OPRK1

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-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-20110064697-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-20110064697-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.