SCHEMBL5046528

SCHEMBL5046528

O=C(c1cncnc1)C1CCCCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.49
HCAR2 Q8TDS4 1/20 0.45
RAB9A P51151 2/20 0.45
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
JAK3 P52333 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CHEK2 O96017 1/20 0.36

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
SCHEMBL10575296 0.90 HCAR2 (0.50) SRD5A2HCAR2RAB9ASMN1; SMN2
SCHEMBL5046019 0.78 SLC18A3 (0.54) SRD5A2HCAR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL9668119 0.78 SLC18A3 (0.54) SRD5A2HCAR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL27587059 0.77 HCAR2 (0.42) SRD5A2HCAR2RAB9AALDH1A1CCNT1
SCHEMBL11638730 0.76 SRD5A2 (0.58) SRD5A2RAB9AALDH1A1TSHRMAPT
SCHEMBL9665275 0.76 SLC18A3 (0.56) HCAR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5605368 0.76 PTPN1 (0.59) ALDH1A1TSHRCCNT1CCNA2CDK2
SCHEMBL14362837 0.74 HCAR2 (0.55) SRD5A2HCAR2RAB9ACNR1CNR2
SCHEMBL21926836 0.74 ALDH1A1 (0.57) ALDH1A1MAPT
SCHEMBL9948893 0.73 JAK3 (0.44) SRD5A2RAB9ACNR1CNR2JAK3

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 SRD5A2 1744/4885HCAR2 111/4885RAB9A 1527/4885

“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.