SCHEMBL889123

SCHEMBL889123

CC(C)[C@H](C)C(=O)N1CCC[C@H]1CNc1ncc(-c2ccc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](C)C(C)C)n4)ccc3c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.40
CYP2C9 P11712 4/20 0.40
NR1I2 O75469 2/20 0.40
ABCB11 O95342 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 2/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 1/20 0.37
CYP2D6 P10635 2/20 0.36
JAK3 P52333 2/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
PRCP P42785 2/20 0.34
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
WNT1 P04628 1/20 0.34
CYP11B2 P19099 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
SCHEMBL888763 0.94 NR1I2 (0.36) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888788 0.90 HCRTR1 (0.40) HCRTR1HCRTR2CYP2D6JAK3DPP4
SCHEMBL889124 0.89 BRAF (0.38) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888955 0.88 NR1I2 (0.53) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888977 0.84 PRMT5 (0.43) OPRK1HCRTR1HCRTR2PRCPGSK3B
SCHEMBL12810215 0.82 CYP3A4 (0.53) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888919 0.81 CYP3A4 (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888996 0.79 CYP3A4 (0.48) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888950 0.79 CYP3A4 (0.48) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888906 0.78 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.