SCHEMBL10145124

SCHEMBL10145124

C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C#Cc2ccc(-c3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)[nH]3)cc2)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
CYP3A4 P08684 4/20 0.47
CYP2C9 P11712 3/20 0.47
CYP1A2 P05177 2/20 0.47
NR1I2 O75469 2/20 0.46
ABCB11 O95342 1/20 0.46
OPRK1 P41145 1/20 0.46
CYP2D6 P10635 1/20 0.43
PRCP P42785 6/20 0.43
CMA1 P23946 1/20 0.41
ELANE P08246 1/20 0.39

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
SCHEMBL12069074 0.97 KCNH2 (0.51) KCNH2CYP3A4CYP2C9CYP1A2NR1I2
SCHEMBL10092407 0.96 KCNH2 (0.54) KCNH2CYP3A4CYP2C9CYP1A2NR1I2
SCHEMBL13293341 0.93 KCNH2 (0.47) KCNH2CYP3A4CYP2C9CYP1A2NR1I2
SCHEMBL10144955 0.93 CMA1 (0.41) KCNH2CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL13259020 0.92 KCNH2 (0.55) KCNH2CYP3A4CYP2C9CYP1A2NR1I2
SCHEMBL10144802 0.91 KCNH2 (0.56) KCNH2CYP3A4CYP2C9CYP1A2NR1I2
SCHEMBL10145023 0.91 KCNH2 (0.54) KCNH2CYP3A4CYP2C9CYP1A2NR1I2
SCHEMBL10145049 0.91 KCNH2 (0.49) KCNH2CYP3A4CYP2C9CYP1A2NR1I2
SCHEMBL10145041 0.91 KCNH2 (0.49) KCNH2CYP3A4CYP2C9CYP1A2NR1I2
SCHEMBL12069045 0.89 KCNH2 (0.42) KCNH2CYP3A4CYP2C9CYP1A2CYP2D6

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 KCNH2 4690/4885CYP3A4 2538/4885CYP2C9 3984/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 KCNH2 4690/4885CYP3A4 2538/4885CYP2C9 3984/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 KCNH2 4690/4885CYP3A4 2538/4885CYP2C9 3984/4885

“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.