SCHEMBL18501436

SCHEMBL18501436

Cc1ccc(-c2ccc(-c3cnc([C@@H]4C[C@@H]5CCC[C@@H]5N4)[nH]3)cc2)c2c1C1CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 7/20 0.33
KCNH2 Q12809 5/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
PRCP P42785 1/20 0.32
SSTR1 P30872 1/20 0.31
SCN10A Q9Y5Y9 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
SCHEMBL18506178 0.88 SSTR3 (0.33) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL15586233 0.84 MAPK13 (0.37) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL16577379 0.83 SCN10A (0.34) SSTR3KCNH2MAPK13MAPK12MAPK11
SCHEMBL16577540 0.82 SCN10A (0.39) SSTR3KCNH2PRCPSCN10A
SCHEMBL16006390 0.81 MAPK13 (0.35) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL14691119 0.79 SSTR3 (0.39) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL14705116 0.79 SSTR3 (0.39) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL18501424 0.78 SCN10A (0.34) SSTR3KCNH2MAPK13MAPK12MAPK11
SCHEMBL18501409 0.78 SCN10A (0.34) SSTR3KCNH2MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL16238708 0.78 SSTR3 (0.38) SSTR3KCNH2CACNA1FCACNA1DCACNA1S

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 SSTR3 3971/4885KCNH2 3621/4885CACNA1F 4589/4885

“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.