SCHEMBL889395

SCHEMBL889395

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)OCc5ccccc5)n4)cc3)cc2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
PRMT5 O14744 4/20 0.36
PARP1 P09874 1/20 0.35
PREP P48147 1/20 0.35
KLK7 P49862 1/20 0.35
PRCP P42785 1/20 0.35
ACE2 Q9BYF1 1/20 0.35

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
SCHEMBL755564 0.89 AADAT (0.44) AADATGPR119TMEM97SIGMAR1PRMT5
SCHEMBL12436385 0.83 PREP (0.42) GPR119PREP
SCHEMBL17066303 0.83 PREP (0.42) GPR119PREP
SCHEMBL890203 0.81 PRCP (0.36) PREPPRCP
SCHEMBL889381 0.81 PRCP (0.36) PREPPRCP
SCHEMBL16020770 0.80 PREP (0.37) GPR119PREP
SCHEMBL16020769 0.80 PREP (0.37) GPR119PREP
SCHEMBL889389 0.79 AADAT (0.44) AADATTMEM97SIGMAR1PREPACE2
SCHEMBL13132670 0.79 AADAT (0.44) AADATTMEM97SIGMAR1PREPACE2
SCHEMBL12600595 0.79 TMEM97 (0.48) AADATTMEM97SIGMAR1PREP

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 5 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-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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 AADAT 2930/4885GPR119 2170/4885TMEM97 1707/4885

“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.