SCHEMBL17929014

SCHEMBL17929014

Brc1c[nH]c(C2CCCN2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
CDC7 O00311 2/20 0.37
PIM1 P11309 2/20 0.37
CSNK2B P67870 2/20 0.37
CSNK2A1 P68400 2/20 0.37
PARP1 P09874 2/20 0.36
CHRM5 P08912 5/20 0.35
CHRM3 P20309 5/20 0.35
CHRM2 P08172 5/20 0.35
CHRM1 P11229 4/20 0.35
CHRM4 P08173 4/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL903360 1.00 SCN10A (0.38) SCN10ACHRNB2CHRNA7CHRNA4CDC7
Hydrochloric Acid SCHEMBL1591999 0.98 SCN10A (0.37) SCN10ACHRNB2CHRNA7CHRNA4CDC7
SCHEMBL955468 0.79 CHRM2 (0.41) SCN10ACHRNB2CHRNA7CHRNA4CDC7
SCHEMBL1813465 0.79 SCN10A (0.38) SCN10ACHRNB2CHRNA7CHRNA4PARP1
SCHEMBL1813463 0.79 SCN10A (0.38) SCN10ACHRNB2CHRNA7CHRNA4PARP1
SCHEMBL955469 0.79 CHRM2 (0.41) SCN10ACHRNB2CHRNA7CHRNA4CDC7
Hydrochloric Acid SCHEMBL12098711 0.77 SCN10A (0.37) SCN10ACHRNB2CHRNA7CHRNA4PARP1
Hydrochloric Acid SCHEMBL12098713 0.77 SCN10A (0.37) SCN10ACHRNB2CHRNA7CHRNA4PARP1
SCHEMBL2683531 0.77 CDC7 (0.40) SCN10ACHRNB2CHRNA7CHRNA4CDC7
SCHEMBL1981541 0.77 CDC7 (0.40) SCN10ACHRNB2CHRNA7CHRNA4CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008552-B Benzo [ e ] pyrazolo [1,5-c ] [1,3] oxazine compound and application thereof 南京圣和药业股份有限公司 2020-08-21 CN disclosed
CN-105985355-B Fused tricyclic hepatitis virus inhibitor and application thereof 南京圣和药业股份有限公司 2020-05-05 CN disclosed
US-9512108-B2 9,9,10,10-Tetrafluoro-9,10-dihydrophenanthrene hepatitis C virus inhibitor and application thereof NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2016-12-06 US disclosed
EP-3091010-A1 9,9,10,10-TETRAFLUORO-9,10-DIHYDROPHENANTHRENE HEPATITIS C VIRUS INHIBITOR AND APPLICATION THEREOF Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2016-11-09 EP disclosed
US-20160297804-A1 9,9,10,10-TETRAFLUORO-9,10-DIHYDROPHENANTHRENE HEPATITIS C VIRUS INHIBITOR AND APPLICATION THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2016-10-13 US disclosed
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 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-20160297804-A1 9,9,10,10-TETRAFLUORO-9,10-DIHYDROPHENANTHRENE HEPATITIS C VIRUS INHIBITOR AND APPLICATION THEREOF SLC10A1, CYP2C9, UGT1A9 SCN10A 208/4885CHRNB2 4865/4885CHRNA7 4624/4885

“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.