SCHEMBL16407731

SCHEMBL16407731

CC(C)(C)[C@H](N)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](N)C(C)(C)C)[nH]4)cc3)cc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 9/20 0.44
▸ NLN Q9BYT8 2/20 0.41
▸ SCN5A Q14524 2/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ S1PR5 Q9H228 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
SCHEMBL15105893 0.92 SCN10A (0.39) SCN10ANLNSCN5A
SCHEMBL1315025 0.90 NLN (0.46) SCN10ANLNSCN5ASCN1AKCNH2
SCHEMBL19414850 0.90 NLN (0.46) SCN10ANLNSCN5ASCN1AKCNH2
SCHEMBL15105760 0.89 HPGDS (0.42) SCN10ANLN
SCHEMBL20054101 0.89 SCN10A (0.40) SCN10ANLNSCN5ASCN1AKCNH2
SCHEMBL15113143 0.89 SCN10A (0.40) SCN10ANLNSCN5ASCN1AKCNH2
SCHEMBL18482470 0.89 SCN10A (0.41) SCN10ANLNSCN5A
SCHEMBL19388462 0.85 SCN10A (0.37) SCN10ANLNSCN5ASCN1AKCNH2
SCHEMBL19388645 0.85 SCN10A (0.40) SCN10ANLNSCN5ASCN1AKCNH2
SCHEMBL15114359 0.85 SCN10A (0.40) SCN10ANLNSCN5ASCN1AKCNH2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617675-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-14 — — US disclosed
US-20180221342-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-09 — — US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
WO-2017023631-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 — — WO disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 — — US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 — — US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 — — US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 — — US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 — — 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 (5 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-10617675-B2 Hepatitis C virus inhibitors HAVCR2, MAVS, EIF2AK2 SCN10A 4191/4885NLN 4268/4885SCN5A 3899/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SCN10A 4191/4885NLN 4268/4885SCN5A 3899/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SCN10A 4191/4885NLN 4268/4885SCN5A 3899/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS SCN10A 4318/4885NLN 4123/4885SCN5A 4146/4885
US-20180221342-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 SCN10A 4191/4885NLN 4268/4885SCN5A 3899/4885

“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.

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