SCHEMBL4005281

SCHEMBL4005281

Cc1ccc(O)c(C(Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
HRH1 P35367 2/20 0.46
ADRB2 P07550 1/20 0.46
CX3CR1 P49238 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL3022314 0.84 MAPT (0.47) CHRM2CHRM5CHRM1CHRM3HRH1
SCHEMBL3994319 0.81 CCKAR (0.46) KMT2AGAAMAPTMEN1POLB
SCHEMBL8646458 0.80 CHRM1 (0.50) CHRM2CHRM5CHRM1CHRM3HRH1
SCHEMBL4000311 0.79 PTGER1 (0.55) FFAR4HPGDMAPTKDM4ECYP2C9
SCHEMBL29152992 0.76 P4HTM (0.56) CHRM1KMT2AMAPTKDM4EMEN1
SCHEMBL9988672 0.75 CSNK2A1 (0.50) CHRM2CHRM5CHRM1CHRM3HRH1
SCHEMBL9988669 0.75 CSNK2A1 (0.50) CHRM2CHRM5CHRM1CHRM3HRH1
SCHEMBL28180772 0.73 CPA1 (0.47) CHRM2CHRM5CHRM1CHRM3HRH1
SCHEMBL28180771 0.73 CPA1 (0.47) CHRM2CHRM5CHRM1CHRM3HRH1
SCHEMBL4619006 0.73 KMT2A (0.54) CHRM2CHRM5CHRM1CHRM3HRH1

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-7517905-B2 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-04-14 US disclosed
US-20060281805-A1 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-12-14 US disclosed
EP-1618091-A1 SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2006-01-25 EP disclosed
WO-2004089898-A1 SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-10-21 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-20060281805-A1 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 CHRM2 3/4885CHRM5 2/4885CHRM1 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.