SCHEMBL889077

SCHEMBL889077

CC(C)(C)OC(=O)N1CCCC1c1nc(-c2ccc3cc(-c4cnc(NCC5CCCN5C(=O)OCc5ccccc5)nc4)ccc3c2)c[nH]1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.49
GPR119 Q8TDV5 1/20 0.39
PARP1 P09874 1/20 0.37
GRIN2B Q13224 1/20 0.37
AADAT Q8N5Z0 1/20 0.37
PRCP P42785 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CHEK2 O96017 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
KLK7 P49862 1/20 0.36

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
SCHEMBL888977 0.92 PRMT5 (0.43) PRMT5GPR119PRCPNPSR1CHEK2
SCHEMBL889122 0.84 PRMT5 (0.48) PRMT5GPR119NPSR1CHEK2LMNA
SCHEMBL755564 0.83 AADAT (0.44) PRMT5GPR119PARP1AADATKLK7
SCHEMBL888999 0.83 PRMT5 (0.40) PRMT5GPR119CHEK2KDM4E
SCHEMBL10121392 0.82 PRCP (0.44) PRMT5AADATPRCP
SCHEMBL16105775 0.79 HPGDS (0.52) PRCP
SCHEMBL14924575 0.78 ALDH1A1 (0.43) NPSR1CHEK2KDM4ELMNA
SCHEMBL12104032 0.78 ALDH1A1 (0.43) NPSR1CHEK2KDM4ELMNA
SCHEMBL12810036 0.78 PRMT5 (0.37) PRMT5GPR119CHEK2
SCHEMBL888912 0.78 CYP3A4 (0.35) PRCPCHEK2KDM4E

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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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 PRMT5 1634/4885GPR119 2170/4885PARP1 2713/4885

“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.