SCHEMBL6360331

SCHEMBL6360331

CCCNC(=O)c1c(C)noc1C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
ALOX15 P16050 2/20 0.55
USP2 O75604 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 3/20 0.54
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.51
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.47
GFER P55789 1/20 0.46

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
SCHEMBL353126 0.86 GAA (0.60) TSHRGAASMN1; SMN2ALOX15USP2
SCHEMBL6361600 0.80 RXFP1 (0.49) TSHRGAASMN1; SMN2ALOX15USP2
SCHEMBL14044533 0.79 GAA (0.61) TSHRGAASMN1; SMN2ALOX15USP2
SCHEMBL14144665 0.79 KMT2A (0.49) TSHRGAASMN1; SMN2ALOX15USP2
SCHEMBL21617368 0.78 GAA (0.55) TSHRGAASMN1; SMN2ALOX15USP2
SCHEMBL5534089 0.76 GAA (0.74) TSHRGAAKMT2APOLBALDH1A1
SCHEMBL353328 0.76 ALDH1A1 (0.56) TSHRGAASMN1; SMN2ALOX15USP2
SCHEMBL2410550 0.73 KMT2A (0.67) TSHRGAASMN1; SMN2ALOX15USP2
SCHEMBL14423987 0.73 POLB (0.43) GAASMN1; SMN2KMT2APOLBTP53
SCHEMBL8919058 0.72 GAA (0.47) TSHRGAASMN1; SMN2ALOX15USP2

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-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
EP-1631569-B1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS NOVARTIS AG (CH) 2009-08-26 EP 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 TSHR 184/4885GAA 1880/4885SMN1; SMN2 3865/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 TSHR 184/4885GAA 1880/4885SMN1; SMN2 3865/4885

“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.