SCHEMBL4137091

SCHEMBL4137091

Cc1ccc(CN2C[C@@H]3[C@@H](CNC(=O)C(O)(c4ccccc4)c4ccccc4)[C@@H]3C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
HRH1 P35367 1/20 0.47
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
FAAH O00519 1/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL4137086 1.00 CHRM2 (0.48) CHRM2CHRM1CHRM3HRH1S1PR1
SCHEMBL4136290 0.97 CHRM3 (0.45) CHRM2CHRM1CHRM3HRH1S1PR1
SCHEMBL5099505 0.97 CHRM3 (0.45) CHRM2CHRM1CHRM3HRH1S1PR1
SCHEMBL5105568 0.92 CHRM3 (0.46) CHRM2CHRM1CHRM3S1PR1S1PR5
SCHEMBL5105573 0.92 CHRM3 (0.46) CHRM2CHRM1CHRM3S1PR1S1PR5
SCHEMBL5093162 0.89 CHRM3 (0.45) CHRM2CHRM1CHRM3FAAHALDH1A1
SCHEMBL4128643 0.89 CHRM3 (0.45) CHRM2CHRM1CHRM3FAAHALDH1A1
SCHEMBL4619428 0.88 CHRM2 (0.46) CHRM2CHRM1CHRM3S1PR1S1PR5
SCHEMBL4143237 0.88 CHRM2 (0.50) CHRM2CHRM1CHRM3FAAHALDH1A1
SCHEMBL4143233 0.88 CHRM2 (0.50) CHRM2CHRM1CHRM3FAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US claimed
US-7446123-B2 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-04 US claimed
US-20060287380-A1 Azabicyclo Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-12-21 US claimed
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US disclosed
US-7446123-B2 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-04 US disclosed
US-20060287380-A1 Azabicyclo Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-12-21 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 (2 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-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS ADRB2, ADRB1, ADRA2C CHRM2 9/4885CHRM1 27/4885CHRM3 6/4885
US-20060287380-A1 Azabicyclo Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 CHRM2 2/4885CHRM1 4/4885CHRM3 1/4885

“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.