SCHEMBL4177302

SCHEMBL4177302

O=C(O)C(c1ccccc1)(C1C2CCC1N(Cc1ccccc1)C2)C1(O)CC=CS1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
ROCK2 O75116 1/20 0.31
ARHGDIA P52565 1/20 0.31
ROCK1 Q13464 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
NPY1R P25929 1/20 0.30
HTT P42858 1/20 0.30
NPY2R P49146 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4172760 0.76 BRD4 (0.32) BRD4NPY1RHTTNPY2R
SCHEMBL9171654 0.67 SIGMAR1 (0.40) ROCK2ARHGDIAROCK1MAPT
SCHEMBL9171648 0.67 SIGMAR1 (0.40) ROCK2ARHGDIAROCK1MAPT
SCHEMBL4174477 0.66 CHRM3 (0.40) BRD4ROCK2ARHGDIAROCK1CHRM2
Trifluoroacetic Acid SCHEMBL18422703 0.64 PDK1 (0.41) BRD4ROCK2ARHGDIAROCK1MAPT
Trifluoroacetic Acid SCHEMBL18422700 0.64 PDK1 (0.41) BRD4ROCK2ARHGDIAROCK1MAPT
SCHEMBL4176967 0.64 RBP4 (0.35) BRD4CHRM2CHRM1CHRM3
SCHEMBL4174389 0.63 CHRM3 (0.49) BRD4ROCK2ARHGDIAROCK1CHRM2
SCHEMBL4174473 0.63 CHRM3 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4966861 0.63 MAPT (0.50) ROCK2ARHGDIAROCK1MAPT

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-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
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 EP disclosed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 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-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM5 BRD4 1260/4885ROCK2 765/4885ARHGDIA 744/4885

“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.