SCHEMBL2534652

SCHEMBL2534652

[CH2]CCCCOC(=O)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.54
CHRNA4 P43681 6/20 0.54
CHRM2 P08172 2/20 0.54
CHRM4 P08173 2/20 0.54
CHRM5 P08912 2/20 0.54
CHRM1 P11229 2/20 0.54
CHRM3 P20309 2/20 0.54
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
ALDH1A1 P00352 2/20 0.37
TSHR P16473 3/20 0.35
CYP3A4 P08684 1/20 0.35
NAAA Q02083 1/20 0.33

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
SCHEMBL2536306 0.98 CHRNB2 (0.52) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL13685147 0.98 CHRNB2 (0.52) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL2536298 0.98 CHRNB2 (0.52) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL2531727 0.98 CHRNB2 (0.52) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL13685207 0.98 CHRNB2 (0.52) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL13684818 0.98 CHRNB2 (0.52) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL2540236 0.93 CHRNB2 (0.56) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL8372848 0.86 CHRNB2 (0.62) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL1890522 0.84
SCHEMBL12807165 0.80 CHRNB2 (0.56) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 CHRNB2 217/4885CHRNA4 110/4885CHRM2 94/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 CHRNB2 299/4885CHRNA4 169/4885CHRM2 72/4885

“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.