SCHEMBL4620147

SCHEMBL4620147

CC(C)=CCN1CC2C(COC(=O)C(O)(c3ccccc3)C3CCCC3)C2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.49
POLB P06746 1/20 0.49
CHRM2 P08172 4/20 0.48
CHRM1 P11229 4/20 0.48
KCNH2 Q12809 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 2/20 0.48
CHRM3 P20309 2/20 0.48
SLC6A3 Q01959 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
THPO P40225 1/20 0.48
ABCB11 O95342 1/20 0.48
ESR1 P03372 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48

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
SCHEMBL4619067 0.90 CHRM2 (0.58) ALDH1A1HTTPOLBCHRM2CHRM1
SCHEMBL4620926 0.81 CHRM3 (0.57) HTTPOLBCHRM2CHRM1KCNH2
SCHEMBL4620925 0.78 POLB (0.52) ALDH1A1HTTPOLBCHRM2CHRM1
SCHEMBL5106067 0.78 CHRM3 (0.53) ALDH1A1HTTPOLBCHRM2CHRM1
SCHEMBL4146270 0.77 ALDH1A1 (0.57) ALDH1A1HTTPOLBCHRM2CHRM1
SCHEMBL3201448 0.76 ALDH1A1 (0.56) ALDH1A1HTTPOLBCHRM2CHRM1
SCHEMBL3222102 0.76 ALDH1A1 (0.56) ALDH1A1HTTPOLBCHRM2CHRM1
SCHEMBL4889431 0.75 CHRM3 (0.51) ALDH1A1HTTCHRM3SIGMAR1MEN1
SCHEMBL4876714 0.74 CHRM3 (0.51) ALDH1A1HTTPOLBCHRM2CHRM1
SCHEMBL4179648 0.74 CHRM3 (0.53) ALDH1A1HTTPOLBCHRM2CHRM1

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 4 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
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 1047/4885HTT 2831/4885POLB 3123/4885

“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.