SCHEMBL6360480

SCHEMBL6360480

CCCCNC(=O)c1cc(C)on1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
KDM4E B2RXH2 1/20 0.72
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
TP53 P04637 4/20 0.59
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 2/20 0.59
HIF1A Q16665 1/20 0.59
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
GAA P10253 1/20 0.55
MAPT P10636 2/20 0.54
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
POLB P06746 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
SCHEMBL8267306 0.92 LMNA (0.62) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL828143 0.90 POLB (0.61) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL11719713 0.88 ALDH1A1 (0.66) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL164034 0.84 NPC1 (0.59) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL10707490 0.83 CYP2C19 (0.63) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL13631419 0.83 CYP2C19 (0.69) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL3507540 0.82 LMNA (0.59) ALDH1A1KDM4ENPC1RAB9ATP53
Hydrochloric Acid SCHEMBL10709480 0.81 LMNA (0.58) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL14500985 0.81 CYP2C19 (0.60) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL23822914 0.80 LMNA (0.51) ALDH1A1KDM4ENPC1RAB9ATP53

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
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

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 ALDH1A1 1477/4885KDM4E 4236/4885NPC1 2654/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 ALDH1A1 1477/4885KDM4E 4236/4885NPC1 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.