SCHEMBL4620005

SCHEMBL4620005

Cc1cccc(C(O)(C(=O)OCC2C3CN(C)CC23)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CHRM3 P20309 6/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CHRM2 P08172 4/20 0.40
CHRM1 P11229 3/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3222037 0.84 CHRM2 (0.45) ALDH1A1CHRM3MEN1KMT2APOLB
SCHEMBL4878736 0.81 LMNA (0.43) ALDH1A1CHRM3MEN1KMT2APOLB
SCHEMBL3216726 0.78 ALDH1A1 (0.49) ALDH1A1CHRM3CHRM2CHRM1CHRM4
SCHEMBL4190902 0.78 CHRM3 (0.56) ALDH1A1CHRM3CHRM2CHRM1
SCHEMBL19770175 0.75 CHRM3 (0.82) CHRM3CHRM2CHRM1
SCHEMBL4190777 0.74 LMNA (0.41) ALDH1A1CHRM3CHRM2CHRM1CHRM4
Triclazate SCHEMBL29387285 0.73 CHRM3 (0.66) ALDH1A1CHRM3
SCHEMBL19770179 0.73 LMNA (0.52) CHRM3MEN1KMT2APOLBCHRM2
SCHEMBL5106067 0.72 CHRM3 (0.53) ALDH1A1CHRM3MEN1KMT2APOLB
SCHEMBL1872474 0.72 CHRM3 (0.71) ALDH1A1CHRM3MEN1KMT2AKDM4E

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 ALDH1A1 1047/4885CHRM3 1/4885MEN1 1514/4885

“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.