SCHEMBL4190993

SCHEMBL4190993

O=C(Cc1cccc(C2CCCC2)c1O)OC1C2CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.39
BCHE P06276 4/20 0.38
MAOB P27338 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
ALDH1A1 P00352 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL4193805 0.99 GRIN2B (0.38) GRIN2BBCHEMAOBSIGMAR1ALDH1A1
SCHEMBL4180019 0.87 POLB (0.33) SIGMAR1
SCHEMBL4179654 0.86 BCHE (0.38) GRIN2BBCHEMAOBSIGMAR1S1PR1
SCHEMBL3205175 0.85 BCHE (0.37) GRIN2BBCHEMAOBSIGMAR1S1PR1
SCHEMBL3217075 0.85 BCHE (0.37) GRIN2BBCHEMAOBSIGMAR1S1PR1
SCHEMBL4184504 0.84 OPRM1 (0.33)
SCHEMBL5116054 0.84 BCHE (0.47) BCHEMAOBSIGMAR1ALDH1A1S1PR5
SCHEMBL4186784 0.80 NAAA (0.39) ALDH1A1
SCHEMBL4977956 0.80 OPRM1 (0.34)
SCHEMBL4985782 0.79 OPRM1 (0.33) ALDH1A1

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
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP claimed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO claimed
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 GRIN2B 626/4885BCHE 334/4885MAOB 332/4885

“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.