SCHEMBL4176967

SCHEMBL4176967

O=C(O)C(O)(c1ccccc1C1CCCC1)C1C2CCC1N(Cc1ccccc1)C2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
BRD4 O60885 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
POLB P06746 1/20 0.34
SIGMAR1 Q99720 3/20 0.33

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
SCHEMBL4187396 0.71 KEAP1 (0.39) RBP4KEAP1NFE2L2
SCHEMBL4172760 0.69 BRD4 (0.32) BRD4SIGMAR1
SCHEMBL4967978 0.68 ALDH1A1 (0.46) RBP4KEAP1NFE2L2CHRM2CHRM1
SCHEMBL4180019 0.67 POLB (0.33) BRD4POLBSIGMAR1
Trifluoroacetic Acid SCHEMBL18422703 0.67 PDK1 (0.41) BRD4
Trifluoroacetic Acid SCHEMBL18422700 0.67 PDK1 (0.41) BRD4
SCHEMBL4177144 0.67 CHRM2 (0.60) CHRM2CHRM1CHRM3
SCHEMBL4176964 0.67 ALDH1A1 (0.51) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL4966861 0.66 MAPT (0.50) SIGMAR1
SCHEMBL4966858 0.66 ROCK2 (0.44) BRD4

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-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-28 US claimed
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 EP claimed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 WO claimed
US-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-28 US 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-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM5 RBP4 1942/4885KEAP1 2397/4885NFE2L2 1977/4885

“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.