Sugi Predict

Sugi Predict / Compounds / SCHEMBL883089

SCHEMBL883089

SCHEMBL883089

c1cc(-c2ccc(-c3c[nH]c([C@@H]4CCCN4)n3)cc2)ccc1-c1ccc(-c2c[nH]c([C@@H]3CCCN3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA7 P36544 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ NR1H4 Q96RI1 2/20 0.37
▸ PARP1 P09874 2/20 0.36
▸ CHRM5 P08912 5/20 0.36
▸ CHRM3 P20309 5/20 0.36
▸ CHRM2 P08172 5/20 0.36
▸ CHRM1 P11229 4/20 0.36
▸ CHRM4 P08173 4/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL15105935 1.00 CHRNB2 (0.38) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL882749 1.00 CHRNB2 (0.38) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL10177443 0.98 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL2449053 0.93 CDC7 (0.39) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL1293343 0.93 NR1H4 (0.44) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL2449055 0.93 CDC7 (0.39) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
Hydrochloric Acid SCHEMBL2449080 0.92 CDC7 (0.38) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL16229693 0.92 SCN10A (0.34) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
Hydrochloric Acid SCHEMBL2449082 0.92 CDC7 (0.38) CHRNB2CHRNA7CHRNA4SCN10AMKNK1
SCHEMBL12682632 0.91 CYP1A2 (0.40) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414350-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-12 — — EP disclosed
US-8796466-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-05 — — US disclosed
WO-2012039717-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 — — WO disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 — — US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 — — US disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 — — US disclosed
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 — — 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 (2 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CHRNB2 4833/4885CHRNA7 4804/4885CHRNA4 4856/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CHRNB2 4833/4885CHRNA7 4804/4885CHRNA4 4856/4885

“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.