SCHEMBL6360976

SCHEMBL6360976

CCCNC(=O)c1sccc1OCC

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.63
HCRTR1 O43613 2/20 0.48
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
NAMPT P43490 1/20 0.42
GAA P10253 1/20 0.42
ABCB1 P08183 1/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29445936 0.90 KMT2A (0.61) KMT2AHCRTR1ALDH1A1MEN1SMN1; SMN2
SCHEMBL29445950 0.88 KMT2A (0.64) KMT2AHCRTR1ALDH1A1MEN1SMN1; SMN2
SCHEMBL22408180 0.88 KMT2A (0.67) KMT2AHCRTR1ALDH1A1MEN1SMN1; SMN2
SCHEMBL6361488 0.86 KMT2A (0.61) KMT2AALDH1A1MEN1SMN1; SMN2CYP1A2
SCHEMBL6655913 0.83 KMT2A (0.69) KMT2AHCRTR1ALDH1A1MEN1SMN1; SMN2
SCHEMBL22408118 0.83 KMT2A (0.69) KMT2AHCRTR1ALDH1A1MEN1SMN1; SMN2
SCHEMBL22408141 0.80 KMT2A (0.65) KMT2AALDH1A1MEN1SMN1; SMN2CYP1A2
SCHEMBL22408109 0.79 KMT2A (0.60) KMT2AHCRTR1ALDH1A1MEN1SMN1; SMN2
SCHEMBL21939832 0.78 KMT2A (0.61) KMT2AALDH1A1MEN1SMN1; SMN2CYP1A2
SCHEMBL22067788 0.78 KMT2A (0.61) KMT2AALDH1A1MEN1SMN1; SMN2CYP1A2

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 KMT2A 2755/4885HCRTR1 422/4885ALDH1A1 1477/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 KMT2A 2755/4885HCRTR1 422/4885ALDH1A1 1477/4885

“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.