SCHEMBL10144864

SCHEMBL10144864

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#Cc3ccc4cc(-c5cnc(C6CCCC6)[nH]5)cnc4c3)cc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.49
PRCP P42785 7/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
NR1I2 O75469 2/20 0.42
ABCB11 O95342 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CHEK2 O96017 1/20 0.38

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
SCHEMBL7601971 0.91 HPGDS (0.52) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL10144792 0.91 HPGDS (0.53) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL7604983 0.90 HPGDS (0.52) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL12565411 0.90 HPGDS (0.52) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL9881654 0.87 PRCP (0.50) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL10144769 0.87 HPGDS (0.46) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL10145720 0.87 CHEK2 (0.44) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL10144858 0.87 HPGDS (0.46) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL16438131 0.87 HPGDS (0.46) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL10144913 0.86 HPGDS (0.49) HPGDSPRCPCYP3A4CYP2C9NR1I2

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 HPGDS 2085/4885PRCP 298/4885CYP3A4 2538/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HPGDS 2085/4885PRCP 298/4885CYP3A4 2538/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HPGDS 2085/4885PRCP 298/4885CYP3A4 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.