SCHEMBL4619933

SCHEMBL4619933

CC=CCC(O)(C(=O)NCC1C2CN(Cc3ccccc3)CC12)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
NPY5R Q15761 1/20 0.36
FUCA1 P04066 2/20 0.35
HTR4 Q13639 1/20 0.35

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
SCHEMBL4619931 1.00 CHRM3 (0.38) CHRM3CHRM2CHRM1S1PR1S1PR5
SCHEMBL5511482 0.90 CHRM3 (0.39) CHRM3CHRM2CHRM1
SCHEMBL5511488 0.90 CHRM3 (0.39) CHRM3CHRM2CHRM1
SCHEMBL13875526 0.90 CHRM3 (0.39) CHRM3CHRM2CHRM1
SCHEMBL5105573 0.82 CHRM3 (0.46) CHRM3CHRM2CHRM1S1PR1S1PR5
SCHEMBL5105568 0.82 CHRM3 (0.46) CHRM3CHRM2CHRM1S1PR1S1PR5
SCHEMBL4619124 0.81 S1PR5 (0.41) CHRM3CHRM2CHRM1S1PR1S1PR5
SCHEMBL4619143 0.80 ACHE (0.38) CHRM3S1PR1S1PR5FUCA1
SCHEMBL4619140 0.80 ACHE (0.38) CHRM3S1PR1S1PR5FUCA1
SCHEMBL4617514 0.80 HTR4 (0.41) CHRM3CHRM2CHRM1S1PR1S1PR5

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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US claimed
EP-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP claimed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed
US-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US disclosed
EP-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP disclosed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 5/4885

“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.