SCHEMBL4078467

SCHEMBL4078467

CC(Br)c1ccc2c(c1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.40
KEAP1 Q14145 3/20 0.39
NFE2L2 Q16236 3/20 0.39
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
POLB P06746 2/20 0.34

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
SCHEMBL18386322 0.83 KMT2A (0.43) ALDH1A1KMT2AHSP90AA1GAAHTT
SCHEMBL26077843 0.79 ALDH1A1 (0.44) ALDH1A1KMT2AHSP90AA1GAAHTT
SCHEMBL24469694 0.79 CA12 (0.41) ALDH1A1KMT2AHSP90AA1GAAHTT
SCHEMBL1254153 0.79 CA12 (0.41) ALDH1A1KMT2AHSP90AA1GAAHTT
SCHEMBL7998429 0.79 ALDH1A1 (0.44) ALDH1A1KMT2AHSP90AA1GAAHTT
SCHEMBL9859659 0.78 KMT2A (0.46) ALDH1A1KMT2AHSP90AA1GAAHTT
Hydrochloric Acid SCHEMBL4935785 0.78 ALDH1A1 (0.40) ALDH1A1KMT2AHSP90AA1GAAHTT
Hydrochloric Acid SCHEMBL29042913 0.78 ALDH1A1 (0.40) ALDH1A1KMT2AHSP90AA1GAAHTT
Hydrochloric Acid SCHEMBL29589401 0.78 ALDH1A1 (0.40) ALDH1A1KMT2AHSP90AA1GAAHTT
SCHEMBL30846926 0.78 KDM4E (0.33)

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-7488748-B2 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-02-10 US disclosed
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-11-02 US disclosed
EP-1590325-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP disclosed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 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-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 ALDH1A1 1292/4885KMT2A 3801/4885HSP90AA1 4697/4885

“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.