SCHEMBL4198451

SCHEMBL4198451

O=C(OCc1ccccc1)N1CC2CCC(C1)C2CNC(=O)C(O)(c1ccccc1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.44
CHRM1 P11229 8/20 0.44
CHRM2 P08172 7/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GRIN2B Q13224 7/20 0.42
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL4193771 0.87 CHRM3 (0.48) CHRM3CHRM1CHRM2HTTMEN1
SCHEMBL4189353 0.84 CHRM3 (0.46) CHRM3CHRM1CHRM2HTTMEN1
SCHEMBL4200393 0.80 ALDH1A1 (0.48) CHRM3CHRM1CHRM2HTTMEN1
SCHEMBL4618035 0.76 ALDH1A1 (0.43) CHRM3CHRM1CHRM2HTTMEN1
SCHEMBL4619110 0.75 ALDH1A1 (0.45) CHRM3CHRM1CHRM2HTTMEN1
SCHEMBL4618316 0.74 ALDH1A1 (0.48) CHRM3CHRM1CHRM2HTTMEN1
SCHEMBL4193537 0.74 PDE4B (0.48) CHRM1HTTMAPTGRIN2BCYP2D6
SCHEMBL13875520 0.72 CHRM3 (0.46) CHRM3CHRM1CHRM2GRIN2B
SCHEMBL4179636 0.72 CHRM3 (0.54) CHRM3CHRM1CHRM2NPC1RAB9A
SCHEMBL3717717 0.72 SMN1; SMN2 (0.64) HTTMEN1ALDH1A1KMT2ANPSR1

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-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US claimed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP disclosed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 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-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM3 1/4885CHRM1 4/4885CHRM2 3/4885

“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.