SCHEMBL5042530

SCHEMBL5042530

CC1(C)OCC(C(=O)c2ccccc2)CO1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
EPHX1 P07099 1/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR2A P28223 1/20 0.39
CPB1 P15086 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9730141 0.79 HCRTR2 (0.44) HTTSMN1; SMN2L3MBTL1NPC1HCRTR1
SCHEMBL9187512 0.76 MCL1 (0.44) HTTEPHX1CES2CES1HTR2A
Acetic Acid SCHEMBL2762930 0.75 HTR2A (0.51) ALDH1A1NPC1KCNH2HTR2ACPB1
SCHEMBL25215367 0.73 SMN1; SMN2 (0.38) SMN1; SMN2POLBALDH1A1
SCHEMBL324342 0.72 HTR2A (0.56) ALDH1A1KCNH2HTR2ACPB1MEN1
SCHEMBL18428493 0.72 HTR2A (0.56) ALDH1A1KCNH2HTR2ACPB1MEN1
SCHEMBL40016 0.71 GAA (0.59) HTTPOLBALDH1A1L3MBTL1MEN1
SCHEMBL9236592 0.71 ALDH1A1 (0.51) ALDH1A1
SCHEMBL11148998 0.70 SLC18A3 (0.42) KCNH2HTR2ACPB1MEN1KMT2A
SCHEMBL11149002 0.70 KMT2A (0.47) HTTALDH1A1KCNH2HTR2ACPB1

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 HTT 4288/4885SMN1; SMN2 2829/4885POLB 3052/4885

“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.