SCHEMBL5046191

SCHEMBL5046191

O=C(c1ccc(F)cc1)c1ccc(F)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
RXFP1 Q9HBX9 1/20 0.66
LTA4H P09960 1/20 0.57
VNN1 O95497 3/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
ALPG P10696 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL27594193 0.92 RXFP1 (0.53) NPC1RXFP1LTA4HVNN1SMN1; SMN2
SCHEMBL5042391 0.86 ALDH1A1 (0.54) NPC1RXFP1VNN1RAB9AALDH1A1
SCHEMBL29457431 0.81 NPC1 (0.62) NPC1RXFP1LTA4HVNN1SMN1; SMN2
SCHEMBL4464197 0.81 NPC1 (0.62) NPC1RXFP1LTA4HVNN1CES2
SCHEMBL29611110 0.81 NPC1 (0.62) NPC1RXFP1LTA4HVNN1CES2
SCHEMBL4467915 0.81 NPC1 (0.62) NPC1RXFP1LTA4HVNN1SMN1; SMN2
SCHEMBL10627287 0.81 NPC1 (0.62) NPC1RXFP1LTA4HVNN1CES2
SCHEMBL114624 0.80 RXFP1 (0.45) NPC1RXFP1LTA4HRAB9AKCNQ3
SCHEMBL238259 0.80 LTA4H (0.73) NPC1RXFP1LTA4HCES2CES1
SCHEMBL8572071 0.80 LTA4H (0.73) NPC1RXFP1LTA4HCES2CES1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361668-B2 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2008-04-22 US disclosed
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2005-01-27 US disclosed
EP-1438309-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2004-07-21 EP disclosed
WO-2003033495-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2003-04-24 WO 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 (1 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-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors CHRM2, CHRM3, CHRM1 NPC1 4468/4885RXFP1 131/4885LTA4H 2351/4885

“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.