SCHEMBL6356934

SCHEMBL6356934

CCCCNC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.74
HDAC2 Q92769 1/20 0.74
POLB P06746 1/20 0.71
SMPD1 P17405 5/20 0.68
ROCK2 O75116 1/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
TP53 P04637 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CNR2 P34972 2/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
MGLL Q99685 1/20 0.59

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
Hydrochloric Acid SCHEMBL9639590 0.98 HDAC3 (0.72) HDAC3HDAC2POLBSMPD1ROCK2
SCHEMBL931440 0.95 POLB (0.73) HDAC3HDAC2POLBSMPD1ROCK2
SCHEMBL3880413 0.94 POLB (0.76) HDAC3HDAC2POLBSMPD1ROCK2
SCHEMBL11246226 0.94 POLB (0.76) HDAC3HDAC2POLBSMPD1ROCK2
SCHEMBL11240645 0.94 POLB (0.76) HDAC3HDAC2POLBSMPD1ROCK2
SCHEMBL11761148 0.91 POLB (0.84) HDAC3HDAC2POLBSMPD1ROCK2
SCHEMBL930908 0.91 ROCK2 (0.76) HDAC3HDAC2POLBSMPD1ROCK2
SCHEMBL9360969 0.87 HDAC3 (0.58) HDAC3HDAC2POLBSMPD1ROCK2
SCHEMBL6356980 0.87 MEN1 (0.67) HDAC3HDAC2POLBSMPD1ROCK2
SCHEMBL7945931 0.87 POLB (0.69) HDAC3HDAC2POLBSMPD1ROCK2

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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 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 (3 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 HDAC3 843/4885HDAC2 2021/4885POLB 4046/4885
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB HDAC3 728/4885HDAC2 828/4885POLB 3390/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 HDAC3 843/4885HDAC2 2021/4885POLB 4046/4885

“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.