SCHEMBL1812334

SCHEMBL1812334

Ic1cnc(C2CCCN2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRNA7 P36544 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.38
MEN1 O00255 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
PARP1 P09874 2/20 0.36
CHRM5 P08912 3/20 0.35
CHRM3 P20309 3/20 0.35
CHRM2 P08172 3/20 0.35
CHRM1 P11229 2/20 0.35
CHRM4 P08173 2/20 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
SCHEMBL13505409 1.00 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7SCN10AMEN1
Hydrochloric Acid SCHEMBL1914214 0.98 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA7SCN10AMEN1
SCHEMBL18058878 0.79 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7SCN10AMEN1
SCHEMBL12672828 0.79 CHRM2 (0.41) CHRNB2CHRNA4CHRNA7SCN10APOLB
SCHEMBL20327689 0.79 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7SCN10AMEN1
SCHEMBL903826 0.79 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7SCN10AMEN1
SCHEMBL8751908 0.79 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7SCN10AMEN1
SCHEMBL15098648 0.79 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7SCN10AMEN1
SCHEMBL47075 0.79 CHRM2 (0.41) CHRNB2CHRNA4CHRNA7SCN10APOLB
SCHEMBL12139913 0.77 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA7SCN10AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802949-B2 Fused ring compounds as hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-10-31 US disclosed
US-9802949-B2 Fused ring compounds as hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-10-31 US disclosed
US-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed
US-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed
US-20150307509-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-29 US disclosed
US-20150307509-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-29 US disclosed
WO-2014131315-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-09-04 WO disclosed
WO-2014082381-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-06-05 WO disclosed
EP-2496572-A1 BENZIMIDAZOLE-IMIDAZOLE DERIVATIVES Janssen R&D Ireland (IE) 2012-09-12 EP disclosed
WO-2011054834-A1 BENZIMIDAZOLE-IMIDAZOLE DERIVATIVES TIBOTEC PHARMACEUTICALS (IE) 2011-05-12 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 (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-20150307509-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CUL4A, GTF3C4, HAVCR2 CHRNB2 4757/4885CHRNA4 3579/4885CHRNA7 4382/4885

“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.