SCHEMBL10177443

SCHEMBL10177443

c1cc(-c2c[nH]c([C@@H]3CCCN3)n2)ccc1-c1c[nH]c([C@@H]2CCCN2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNA4 P43681 2/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
NR1H4 Q96RI1 2/20 0.38
PARP1 P09874 2/20 0.37
CHRM5 P08912 5/20 0.37
CHRM3 P20309 5/20 0.37
CHRM2 P08172 5/20 0.37
CHRM1 P11229 4/20 0.37
CHRM4 P08173 4/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 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
SCHEMBL883089 0.98 CHRNB2 (0.38) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL882749 0.98 CHRNB2 (0.38) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL15105935 0.98 CHRNB2 (0.38) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL17401124 0.93 KCNH2 (0.37) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL1981541 0.93 CDC7 (0.40) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL12682669 0.93 MKNK1 (0.40) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL2683531 0.93 CDC7 (0.40) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL12682632 0.93 CYP1A2 (0.40) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL12682719 0.93 SCN10A (0.35) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL18498321 0.93 KCNH2 (0.37) CHRNB2CHRNA7CHRNA4SCN10AMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 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-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CHRNB2 4853/4885CHRNA7 4838/4885CHRNA4 4869/4885

“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.