SCHEMBL6356980

SCHEMBL6356980

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
TAS1R3 Q7RTX0 1/20 0.62
TAS1R1 Q7RTX1 1/20 0.62
HDAC3 O15379 1/20 0.58
HDAC2 Q92769 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
SMPD1 P17405 1/20 0.57
PDE5A O76074 1/20 0.56
POLB P06746 1/20 0.55
LMNA P02545 2/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
TP53 P04637 1/20 0.53
CNR2 P34972 2/20 0.52
ROCK2 O75116 1/20 0.51
CD274 Q9NZQ7 1/20 0.50

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
SCHEMBL11755664 0.92 MEN1 (0.70) MEN1KMT2ATAS1R3TAS1R1SMN1; SMN2
SCHEMBL8324517 0.92 TAS1R3 (0.65) MEN1KMT2ATAS1R3TAS1R1SMN1; SMN2
SCHEMBL6356934 0.87 HDAC3 (0.74) MEN1KMT2AHDAC3HDAC2SMN1; SMN2
Hydrochloric Acid SCHEMBL9639590 0.86 HDAC3 (0.72) MEN1KMT2AHDAC3HDAC2SMN1; SMN2
SCHEMBL12989186 0.84 SMN1; SMN2 (0.66) HDAC3HDAC2SMN1; SMN2HTT
SCHEMBL9360969 0.83 HDAC3 (0.58) HDAC3HDAC2SMN1; SMN2SMPD1POLB
SCHEMBL11752307 0.83 MEN1 (0.60) MEN1KMT2ATAS1R3TAS1R1SMN1; SMN2
SCHEMBL931440 0.83 POLB (0.73) HDAC3HDAC2SMPD1POLBRAB9A
SCHEMBL11240645 0.82 POLB (0.76) MEN1KMT2AHDAC3HDAC2SMPD1
SCHEMBL3880413 0.82 POLB (0.76) MEN1KMT2AHDAC3HDAC2SMPD1

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 2755/4885TAS1R3 127/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 MEN1 903/4885KMT2A 2755/4885TAS1R3 127/4885

“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.