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
SCHEMBL4467915 0.81 NPC1 (0.62) NPC1RXFP1LTA4HVNN1SMN1; SMN2
SCHEMBL29457431 0.81 NPC1 (0.62) NPC1RXFP1LTA4HVNN1SMN1; SMN2
SCHEMBL10627287 0.81 NPC1 (0.62) NPC1RXFP1LTA4HVNN1CES2
SCHEMBL29611110 0.81 NPC1 (0.62) NPC1RXFP1LTA4HVNN1CES2
SCHEMBL4464197 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.

Send feedback