SCHEMBL6360441

SCHEMBL6360441

CCC(=O)Nc1ccnn1CC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CTSK P43235 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PIK3CA P42336 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPK14 Q16539 2/20 0.41
CYP3A4 P08684 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
SCHEMBL12630084 0.89 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL7923966 0.87 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL13850731 0.87 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL3766193 0.84 RAB9A (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL13170046 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL26789473 0.81 POLB (0.59) KMT2AALDH1A1HPGDCTSKRAB9A
SCHEMBL2243691 0.80 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL222210 0.79 KMT2A (0.42) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1869411 0.78 CTSK (0.44) HPGDCTSKRAB9APOLB
SCHEMBL1863235 0.78 CTSK (0.44) HPGDCTSKRAB9APOLB

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 MEN1 903/4885KMT2A 2755/4885ALDH1A1 1477/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 MEN1 903/4885KMT2A 2755/4885ALDH1A1 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.