SCHEMBL888763

SCHEMBL888763

CC(C)[C@H](C)C(=O)N1CCC[C@H]1CNc1ncc(-c2ccc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](C)c5ccccc5)n4)ccc3c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.36
KCNH2 Q12809 2/20 0.36
PRCP P42785 5/20 0.36
SGK1 O00141 1/20 0.36
CYP3A4 P08684 5/20 0.36
CYP2C9 P11712 4/20 0.36
ABCB11 O95342 1/20 0.36
OPRK1 P41145 1/20 0.36
CYP1A2 P05177 2/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CYP11B2 P19099 1/20 0.33
CYP2D6 P10635 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
SCHEMBL889123 0.94 CYP3A4 (0.40) NR1I2KCNH2PRCPCYP3A4CYP2C9
SCHEMBL888788 0.84 HCRTR1 (0.40) HCRTR1HCRTR2CYP11B2CYP2D6
SCHEMBL889124 0.84 BRAF (0.38) NR1I2KCNH2PRCPCYP3A4CYP2C9
SCHEMBL888955 0.82 NR1I2 (0.53) NR1I2KCNH2PRCPCYP3A4CYP2C9
SCHEMBL888977 0.79 PRMT5 (0.43) PRCPOPRK1HCRTR1HCRTR2
SCHEMBL12824451 0.78 NR1I2 (0.35) NR1I2KCNH2PRCPCYP3A4CYP2C9
SCHEMBL12810215 0.77 CYP3A4 (0.53) NR1I2KCNH2CYP3A4CYP2C9ABCB11
SCHEMBL889077 0.77 PRMT5 (0.49) PRCP
SCHEMBL888919 0.76 CYP3A4 (0.47) NR1I2KCNH2CYP3A4CYP2C9ABCB11
SCHEMBL12755259 0.76 KCNH2 (0.50) KCNH2CYP3A4CYP2C9CYP1A2HCRTR1

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 NR1I2 353/4885KCNH2 3785/4885PRCP 289/4885

“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.