SCHEMBL6356969

SCHEMBL6356969

CCCCNC(=O)c1ccc(OC(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
NR1H4 Q96RI1 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
HPGD P15428 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 2/20 0.54
NAAA Q02083 1/20 0.53
TSHR P16473 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51

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
SCHEMBL6361429 0.91 KMT2A (0.60) KMT2ARAB9ANPC1NR1H4HPGD
SCHEMBL11759690 0.91 RAB9A (0.69) KMT2ARAB9ANPC1NR1H4L3MBTL1
SCHEMBL18389594 0.85 SMN1; SMN2 (0.54) KMT2ARAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL13753315 0.84 NR1H4 (0.61) KMT2ARAB9ANPC1NR1H4HPGD
SCHEMBL28326194 0.83 L3MBTL1 (0.73) KMT2ARAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL19287528 0.83 KMT2A (0.59) KMT2ARAB9ANPC1NR1H4L3MBTL1
SCHEMBL6359384 0.83 NPC1 (0.81) KMT2ARAB9ANPC1L3MBTL1HPGD
SCHEMBL19287211 0.82 KMT2A (0.58) KMT2ARAB9ANPC1NR1H4L3MBTL1
SCHEMBL13649730 0.81 L3MBTL1 (0.52) KMT2ARAB9ANPC1NR1H4L3MBTL1
SCHEMBL5044217 0.81 KMT2A (0.49) KMT2ARAB9ANPC1NR1H4L3MBTL1

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 KMT2A 2755/4885RAB9A 703/4885NPC1 2654/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 KMT2A 2755/4885RAB9A 703/4885NPC1 2654/4885

“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.