SCHEMBL10145720

SCHEMBL10145720

CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc(C#Cc3ccc4nc(C5CCCC5)[nH]c4c3)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.44
HPGDS O60760 3/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
NR1I2 O75469 2/20 0.43
ABCB11 O95342 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
PRCP P42785 4/20 0.42
HCRTR1 O43613 8/20 0.40
HCRTR2 O43614 8/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL10144769 0.97 HPGDS (0.46) CHEK2HPGDSCYP3A4CYP2C9NR1I2
SCHEMBL16438131 0.97 HPGDS (0.46) CHEK2HPGDSCYP3A4CYP2C9NR1I2
SCHEMBL12068463 0.95 CYP3A4 (0.45) CHEK2HPGDSCYP3A4CYP2C9NR1I2
SCHEMBL13171583 0.95 CYP3A4 (0.45) CHEK2HPGDSCYP3A4CYP2C9NR1I2
SCHEMBL10144780 0.92 HPGDS (0.41) CHEK2HPGDSPRCPHCRTR1HCRTR2
SCHEMBL16405113 0.92 MLLT1 (0.42) CHEK2HPGDSCYP3A4CYP2C9NR1I2
SCHEMBL16438132 0.91 HPGDS (0.39) CHEK2HPGDSCYP3A4CYP2C9NR1I2
SCHEMBL10144773 0.91 HPGDS (0.39) CHEK2HPGDSCYP3A4CYP2C9NR1I2
SCHEMBL10144792 0.90 HPGDS (0.53) HPGDSCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL16441302 0.89 HCRTR1 (0.41) CHEK2HPGDSCYP3A4CYP2C9NR1I2

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-20150038501-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
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 (3 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 CHEK2 2799/4885HPGDS 2085/4885CYP3A4 2538/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CHEK2 2799/4885HPGDS 2085/4885CYP3A4 2538/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CHEK2 2799/4885HPGDS 2085/4885CYP3A4 2538/4885

“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.