SCHEMBL10144769

SCHEMBL10144769

CC(C)(C)OC(=O)N1CCCC1c1nc2ccc(C#Cc3ccc(-c4cnc(C5CCCC5)[nH]4)cc3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.46
CHEK2 O96017 1/20 0.44
HCRTR1 O43613 13/20 0.42
HCRTR2 O43614 13/20 0.42
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
PRCP P42785 2/20 0.40

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
SCHEMBL16438131 1.00 HPGDS (0.46) HPGDSCHEK2HCRTR1HCRTR2NR1I2
SCHEMBL10145720 0.97 CHEK2 (0.44) HPGDSCHEK2HCRTR1HCRTR2NR1I2
SCHEMBL12068463 0.95 CYP3A4 (0.45) HPGDSCHEK2HCRTR1HCRTR2NR1I2
SCHEMBL13171583 0.95 CYP3A4 (0.45) HPGDSCHEK2HCRTR1HCRTR2NR1I2
SCHEMBL16405113 0.92 MLLT1 (0.42) HPGDSCHEK2HCRTR1HCRTR2NR1I2
SCHEMBL16001548 0.91 HPGDS (0.49) HPGDSCHEK2HCRTR1HCRTR2NR1I2
SCHEMBL9977180 0.91 HPGDS (0.49) HPGDSCHEK2HCRTR1HCRTR2NR1I2
SCHEMBL10144792 0.90 HPGDS (0.53) HPGDSHCRTR1HCRTR2NR1I2ABCB11
SCHEMBL10144780 0.89 HPGDS (0.41) HPGDSCHEK2HCRTR1HCRTR2PRCP
SCHEMBL16441302 0.89 HCRTR1 (0.41) HPGDSCHEK2HCRTR1HCRTR2NR1I2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865756-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-10-21 US disclosed
US-20130296311-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 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 (2 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-20130296311-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HPGDS 2085/4885CHEK2 2799/4885HCRTR1 4807/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HPGDS 2085/4885CHEK2 2799/4885HCRTR1 4807/4885

“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.