SCHEMBL5428754

SCHEMBL5428754

CC(C)C(O)(C(=O)NC[C@@H]1C2CN(Cc3ccccc3)C[C@H]21)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CACNA1G O43497 2/20 0.39
CACNA1H O95180 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
NPY5R Q15761 1/20 0.37
FUCA1 P04066 1/20 0.37

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
SCHEMBL4617514 1.00 HTR4 (0.41) HTR4CHRM2CHRM1CHRM3CACNA1G
SCHEMBL4618827 0.90 HTR4 (0.39) HTR4CHRM2CHRM1CHRM3CACNA1G
SCHEMBL5106216 0.89 CHRM3 (0.39) HTR4CHRM2CHRM1CHRM3CACNA1G
SCHEMBL4149426 0.89 CHRM3 (0.39) HTR4CHRM2CHRM1CHRM3CACNA1G
SCHEMBL5105568 0.85 CHRM3 (0.46) CHRM2CHRM1CHRM3S1PR1S1PR5
SCHEMBL5105573 0.85 CHRM3 (0.46) CHRM2CHRM1CHRM3S1PR1S1PR5
SCHEMBL5099505 0.81 CHRM3 (0.45) CHRM2CHRM1CHRM3S1PR1S1PR5
SCHEMBL4136290 0.81 CHRM3 (0.45) CHRM2CHRM1CHRM3S1PR1S1PR5
SCHEMBL4140791 0.81 SSTR4 (0.44) CHRM2CHRM1CHRM3CYP2D6
SCHEMBL4140788 0.81 SSTR4 (0.44) CHRM2CHRM1CHRM3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021487-A1 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-01-25 US 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-20070021487-A1 Azabicyclo derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 HTR4 397/4885CHRM2 3/4885CHRM1 4/4885

“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.