SCHEMBL10145604

SCHEMBL10145604

CNC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(C#Cc2ccc(C#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)NC)c4ccccc4)[nH]3)cc2)[nH]1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.42
PRCP P42785 5/20 0.42
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 3/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
OPRK1 P41145 1/20 0.41
PPIB P23284 1/20 0.41
PPIA P62937 1/20 0.41
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
CYP1A2 P05177 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL10145601 0.91 KCNH2 (0.43) KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL10145018 0.90 KCNH2 (0.54) KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL10145592 0.90 KCNH2 (0.51) KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL10145607 0.90 KCNH2 (0.44) KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL10145587 0.89 ACACB (0.42) KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL12068504 0.87 KCNH2 (0.46) KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL10145612 0.87 KCNH2 (0.41) KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL9220572 0.86 KCNH2 (0.52) KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL10145519 0.86 KCNH2 (0.50) KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL10145611 0.85 KCNH2 (0.39) KCNH2PRCPCYP3A4CYP2C9NR1I2

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 10 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-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-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-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
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2011150243-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2010065668-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 WO 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 KCNH2 4690/4885PRCP 298/4885CYP3A4 2538/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 KCNH2 4690/4885PRCP 298/4885CYP3A4 2538/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 KCNH2 4690/4885PRCP 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.