SCHEMBL6360786

SCHEMBL6360786

CCCNC(=O)c1sc2ccccc2c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.51
PRNP P04156 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HSD11B1 P28845 1/20 0.49
F10 P00742 2/20 0.46
OGG1 O15527 1/20 0.46
LIMK1 P53667 1/20 0.46
MAPT P10636 7/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GFER P55789 1/20 0.45
ESR1 P03372 1/20 0.45
POLB P06746 1/20 0.45
JMJD7 P0C870 1/20 0.45
STAT3 P40763 1/20 0.45

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
SCHEMBL6360877 0.81 L3MBTL1 (0.51) F10MAPTRAB9ANPC1GAA
SCHEMBL7984156 0.78 HSD11B1 (0.61) PRNPRXFP1HSD11B1OGG1LIMK1
SCHEMBL13963145 0.76 HSD11B1 (0.62) PRNPRXFP1HSD11B1F10OGG1
SCHEMBL445706 0.76 NPC1 (0.52) PTGS2MAPTRAB9ANPC1ALDH1A1
SCHEMBL16598796 0.76 RXFP1 (0.73) PRNPRXFP1HSD11B1F10OGG1
SCHEMBL12319536 0.75 HDAC6 (0.52) PTGS2PRNPRXFP1HSD11B1F10
SCHEMBL584871 0.74 RXFP1 (0.71) PRNPRXFP1HSD11B1LIMK1MAPT
SCHEMBL2610250 0.74 RXFP1 (0.61) PRNPRXFP1HSD11B1F10OGG1
SCHEMBL29939764 0.74 RXFP1 (0.71) PRNPRXFP1HSD11B1LIMK1MAPT
SCHEMBL9025206 0.74 ALDH1A1 (0.64) PRNPRXFP1HSD11B1MAPTGAA

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 PTGS2 3575/4885PRNP 2891/4885RXFP1 54/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 PTGS2 3575/4885PRNP 2891/4885RXFP1 54/4885

“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.