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SCHEMBL10146053

SCHEMBL10146053

COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(C#Cc2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@H](NC(=O)C5CC5)c5ccccc5)[nH]4)cc3)cc2)[nH]1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.57
▸ KCNH2 Q12809 3/20 0.57
▸ CYP2C9 P11712 3/20 0.57
▸ NR1I2 O75469 2/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ PRCP P42785 6/20 0.43
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41

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
SCHEMBL10146044 0.96 CYP3A4 (0.62) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL10145208 0.96 CYP3A4 (0.59) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL10144856 0.95 KCNH2 (0.51) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL10144929 0.95 CYP3A4 (0.60) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL10144910 0.94 KCNH2 (0.49) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL10146048 0.92 CYP3A4 (0.60) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL10177150 0.92 CYP3A4 (0.66) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL12069107 0.92 CYP3A4 (0.57) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL12069117 0.92 KCNH2 (0.59) CYP3A4KCNH2CYP2C9NR1I2ABCB11
SCHEMBL10145003 0.91 CYP3A4 (0.65) CYP3A4KCNH2CYP2C9NR1I2ABCB11

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 8 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
WO-2011150243-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 — — 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 CYP3A4 2538/4885KCNH2 4690/4885CYP2C9 3984/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CYP3A4 2538/4885KCNH2 4690/4885CYP2C9 3984/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CYP3A4 2538/4885KCNH2 4690/4885CYP2C9 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.