SCHEMBL3613484

SCHEMBL3613484

CNCC1C2CN(C(=O)C(O)(c3ccc(F)cc3)C(C)C)CC12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.32
MGLL Q99685 1/20 0.31
PDK2 Q15119 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TRPA1 O75762 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL3614190 0.84 TACR1 (0.34) TACR1ALDH1A1HPGDKMT2AMEN1
SCHEMBL5245279 0.81 CACNA1G (0.34) TACR1ALDH1A1HPGDKCNH2PDK2
SCHEMBL3620719 0.80 TACR1 (0.34) TACR1MGLLPDK2
SCHEMBL3618709 0.79 CHRM3 (0.44)
SCHEMBL5245706 0.73 HTR4 (0.34) KMT2AKCNH2SLC6A3
SCHEMBL3620063 0.73 CNR1 (0.39) ALDH1A1
SCHEMBL3618740 0.71 NR1H2 (0.39) PDK2
SCHEMBL3607924 0.68 CHRM3 (0.45)
SCHEMBL28833142 0.66 CYP2D6 (0.43) ALDH1A1HPGDKMT2AMEN1
SCHEMBL5245585 0.64 PDK2 (0.34) TACR1ALDH1A1KMT2AKCNH2MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US claimed
EP-1828174-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-09-05 EP claimed
WO-2006054162-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-26 WO claimed
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US disclosed
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US disclosed
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US disclosed
EP-1828174-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-09-05 EP disclosed
WO-2006054162-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-26 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-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 TACR1 12/4885ALDH1A1 1337/4885HPGD 796/4885

“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.