SCHEMBL5046549

SCHEMBL5046549

O=C(CC1CCCC1)c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
HPGD P15428 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
GSK3B P49841 1/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
CES2 O00748 1/20 0.47

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
SCHEMBL12262036 0.93 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1HPGDL3MBTL1
SCHEMBL10280063 0.85 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1HPGDL3MBTL1
SCHEMBL6414100 0.83 RAB9A (0.55) ALDH1A1RAB9ANPC1HPGDL3MBTL1
SCHEMBL10232793 0.82 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1HPGDL3MBTL1
SCHEMBL9049027 0.80 RAB9A (0.58) ALDH1A1RAB9ANPC1HPGDL3MBTL1
SCHEMBL11844223 0.79 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1HPGDL3MBTL1
SCHEMBL6421225 0.76 CES2 (0.57) ALDH1A1RAB9ANPC1HPGDL3MBTL1
SCHEMBL7312785 0.75 POLB (0.53) ALDH1A1RAB9ANPC1HPGDL3MBTL1
SCHEMBL19492752 0.74 ALDH1A1 (0.97) ALDH1A1RAB9ANPC1HPGDL3MBTL1
SCHEMBL28024080 0.74 RAB9A (0.55) ALDH1A1RAB9ANPC1HPGDL3MBTL1

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 ALDH1A1 727/4885RAB9A 1527/4885NPC1 4468/4885

“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.