SCHEMBL888941

SCHEMBL888941

CC(C)[C@H](C)C(=O)N1CCC[C@H]1CNCc1c[nH]c([C@@H]2CCCN2C(=O)[C@@H](C)C(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 3/20 0.37
JAK3 P52333 2/20 0.37
NR1I2 O75469 2/20 0.36
ABCB11 O95342 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.35
PRCP P42785 1/20 0.33
XPNPEP1 Q9NQW7 1/20 0.33

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
SCHEMBL888956 0.78 PRCP (0.44) PRCP
SCHEMBL889123 0.74 CYP3A4 (0.40) CYP3A4CYP2C9JAK3NR1I2ABCB11
SCHEMBL10120777 0.72 CYP3A4 (0.44) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL889124 0.72 BRAF (0.38) CYP3A4CYP2C9JAK3NR1I2ABCB11
SCHEMBL12772532 0.72 CYP3A4 (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL16501637 0.71 CYP3A4 (0.46) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12558311 0.71 CYP3A4 (0.50) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15871289 0.71 CYP3A4 (0.49) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL23247507 0.70 OPRD1 (0.44) CYP3A4CYP2C9PRCP
SCHEMBL12755265 0.70 XPNPEP1 (0.44) XPNPEP1

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 394/4885JAK3 1101/4885

“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.