SCHEMBL755564

SCHEMBL755564

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)OCc5ccccc5)n4)cc3)cc2)c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.44
KLK7 P49862 1/20 0.43
PARP1 P09874 1/20 0.43
PRMT5 O14744 3/20 0.42
GPR119 Q8TDV5 1/20 0.42
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
PREP P48147 3/20 0.42
ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL16276294 0.89 AADAT (0.40) AADATKLK7PARP1PRMT5GPR119
SCHEMBL17396065 0.89 USP30 (0.44)
SCHEMBL17396063 0.89 USP30 (0.44)
SCHEMBL883261 0.89 USP30 (0.43) GPR119
SCHEMBL883274 0.89 USP30 (0.43) GPR119
SCHEMBL889395 0.89 AADAT (0.38) AADATKLK7PARP1PRMT5GPR119
SCHEMBL13132670 0.88 AADAT (0.44) AADATTMEM97SIGMAR1PREPACE2
SCHEMBL889389 0.88 AADAT (0.44) AADATTMEM97SIGMAR1PREPACE2
SCHEMBL12295753 0.88 PRMT5 (0.40) KLK7PRMT5
SCHEMBL1061828 0.88 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138215-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-20 US disclosed
US-8138215-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-20 US disclosed
US-20100303755-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-12-02 US disclosed
US-20100303755-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-12-02 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-20100303755-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS AADAT 2969/4885KLK7 3500/4885PARP1 3489/4885

“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.