SCHEMBL6359692

SCHEMBL6359692

CCC(=O)NC1Cc2cc(CC)c(CC)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.58
CA2 P00918 6/20 0.58
CA12 O43570 5/20 0.58
CA7 P43166 5/20 0.58
CA14 Q9ULX7 5/20 0.58
CA9 Q16790 4/20 0.58
MTNR1A P48039 6/20 0.54
MTNR1B P49286 6/20 0.54
CYP1A2 P05177 2/20 0.47
ALOX15 P16050 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.43
CYP2C9 P11712 1/20 0.43
GRM7 Q14831 1/20 0.40

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
SCHEMBL6559473 0.80 CA1 (0.68) CA1CA2CA12CA7CA14
SCHEMBL6359193 0.80 MTNR1A (0.79) CA1CA2CA12CA7CA14
SCHEMBL4124063 0.78 CA1 (0.39) CA1CA2CA12CA7CA14
SCHEMBL17335544 0.77 CA1 (0.64) CA1CA2CA12CA7CA14
SCHEMBL867756 0.76 NPSR1 (0.48) CA1CA2CA12CA7CA14
SCHEMBL5739726 0.75 CA1 (0.57) CA1CA2CA12CA7CA14
SCHEMBL5739723 0.75 CA1 (0.57) CA1CA2CA12CA7CA14
SCHEMBL5740874 0.75 CA1 (0.57) CA1CA2CA12CA7CA14
SCHEMBL6558753 0.75 CA12 (0.61) CA1CA2CA12CA7CA14
SCHEMBL26791804 0.73 MTNR1A (0.47) CA1CA2CA12CA7CA14

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 420/4885CA12 1074/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 CA1 1096/4885CA2 420/4885CA12 1074/4885

“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.