SCHEMBL5046057

SCHEMBL5046057

O=C(c1cccs1)C1CCCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
HPGD P15428 4/20 0.58
ALDH1A1 P00352 3/20 0.58
TSHR P16473 2/20 0.58
NPC1 O15118 2/20 0.58
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 2/20 0.56
SLC18A3 Q16572 1/20 0.52
GAA P10253 3/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DAO P14920 1/20 0.48
NR2F2 P24468 1/20 0.48

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
SCHEMBL9777027 1.00 RAB9A (0.58) RAB9AHPGDALDH1A1TSHRNPC1
SCHEMBL7005733 0.98 TSHR (0.57) RAB9AHPGDALDH1A1TSHRNPC1
SCHEMBL621714 0.90 ALDH1A1 (0.58) RAB9AHPGDALDH1A1TSHRNPC1
SCHEMBL229300 0.82 ALDH1A1 (0.51) RAB9AHPGDALDH1A1TSHRNPC1
SCHEMBL4673525 0.82 ALDH1A1 (0.51) RAB9AHPGDALDH1A1TSHRNPC1
Bromide SCHEMBL10964629 0.81 ALDH1A1 (0.50) RAB9AHPGDALDH1A1TSHRNPC1
Hydrochloric Acid SCHEMBL228752 0.81 ALDH1A1 (0.50) RAB9AHPGDALDH1A1TSHRNPC1
SCHEMBL4160439 0.80 TSHR (0.46) RAB9AHPGDALDH1A1TSHRNPC1
SCHEMBL5960277 0.80 ALDH1A1 (0.68) RAB9AALDH1A1NPC1HSD17B10SLC18A3
SCHEMBL7260704 0.78 RAB9A (0.51) RAB9AHPGDALDH1A1TSHRNPC1

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 RAB9A 1527/4885HPGD 1363/4885ALDH1A1 727/4885

“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.