SCHEMBL18501422

SCHEMBL18501422

C[C@H]1CCC(c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC[C@H](C)C6)[nH]5)cc4)c4c3C3CCC4C3)[nH]2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.35
HPGDS O60760 4/20 0.35
TTK P33981 9/20 0.35
SSTR3 P32745 2/20 0.34
KCNH2 Q12809 2/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
SSTR5 P35346 1/20 0.33
RPS6KB1 P23443 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL18501424 0.92 SCN10A (0.34) SCN10AHPGDSTTKSSTR3KCNH2
SCHEMBL18501409 0.92 SCN10A (0.34) SCN10AHPGDSTTKSSTR3KCNH2
SCHEMBL18501411 0.85 MAPK13 (0.36) SCN10AHPGDSTTKSSTR3KCNH2
SCHEMBL16948352 0.85 MAPK13 (0.36) SCN10AHPGDSTTKSSTR3KCNH2
SCHEMBL16577431 0.84 MAPK13 (0.38) SCN10AHPGDSTTKSSTR3KCNH2
SCHEMBL15586688 0.84 MAPK13 (0.38) SCN10AHPGDSTTKSSTR3KCNH2
SCHEMBL18501410 0.84
SCHEMBL16577378 0.83 SCN10A (0.39) SCN10AHPGDSTTKSSTR3KCNH2
SCHEMBL16006296 0.83 MAPK13 (0.37) SCN10AHPGDSTTKSSTR3KCNH2
SCHEMBL18501429 0.81 SCN10A (0.36) SCN10AHPGDSTTKSSTR3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738629-B2 Bridged ring compounds as Hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-08-22 US disclosed
US-20170044140-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-02-16 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 (1 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-20170044140-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SLC10A1, CYP7A1, CYP3A43 SCN10A 2551/4885HPGDS 1856/4885TTK 2116/4885

“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.