SCHEMBL6360747

SCHEMBL6360747

CCCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 16/20 0.74
▸ CA2 P00918 16/20 0.74
▸ OPRM1 P35372 1/20 0.62
▸ OPRD1 P41143 1/20 0.62
▸ KDM4E B2RXH2 2/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ CA12 O43570 1/20 0.55
▸ CA3 P07451 1/20 0.55
▸ CA4 P22748 1/20 0.55
▸ CA6 P23280 1/20 0.55
▸ CA5A P35218 1/20 0.55
▸ CA7 P43166 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ CA13 Q8N1Q1 1/20 0.55
▸ CA14 Q9ULX7 1/20 0.55
▸ CA5B Q9Y2D0 1/20 0.55
▸ LMNA P02545 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HTT P42858 1/20 0.53

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
SCHEMBL941311 0.92 CA2 (0.64) CA1CA2OPRM1OPRD1KDM4E
SCHEMBL31670533 0.92 CA2 (0.75) CA1CA2OPRM1OPRD1CA12
SCHEMBL13687209 0.89 CA1 (0.72) CA1CA2OPRM1OPRD1
SCHEMBL31670539 0.87 CA1 (0.76) CA1CA2OPRM1OPRD1CA12
SCHEMBL31670540 0.86 CA1 (0.70) CA1CA2OPRM1OPRD1CA12
SCHEMBL31670546 0.85 CA1 (0.77) CA1CA2OPRM1OPRD1CA12
SCHEMBL11412620 0.83 CA1 (0.56) CA1CA2OPRM1OPRD1KMT2A
SCHEMBL1272484 0.82 CA1 (0.71) CA1CA2
SCHEMBL13687260 0.81 CA1 (0.66) CA1CA2KDM4ELMNAGLA
SCHEMBL13753103 0.81 HPGD (0.73) KDM4EKMT2ALMNAMAPTHTT

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
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 — — US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 — — US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 — — US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 — — US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 — — US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 — — 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 (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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 CA1 1096/4885CA2 420/4885OPRM1 32/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 CA1 1096/4885CA2 420/4885OPRM1 32/4885

“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.

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