SCHEMBL4249836

SCHEMBL4249836

O=C(O)N(CC1C2CCC1CN(Cc1ccccc1)C2)c1ccccc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
PTPN1 P18031 1/20 0.39
PKM P14618 1/20 0.39
FUCA1 P04066 2/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL4238209 0.95 PKM (0.42) S1PR1S1PR5PKMBCHEACHE
SCHEMBL4248188 0.94 ACHE (0.42) S1PR1S1PR5BCHEACHEBACE1
SCHEMBL4242012 0.91 ACHE (0.45) S1PR1S1PR5ACHESIGMAR1CHRM2
SCHEMBL4237268 0.91 MEN1 (0.42) S1PR1S1PR5ACHESIGMAR1
SCHEMBL4240892 0.91 SIGMAR1 (0.42) GRIN2BBCHEACHEBACE1SIGMAR1
SCHEMBL4237318 0.89 SIGMAR1 (0.44) GRIN2BS1PR1S1PR5SIGMAR1
SCHEMBL4248181 0.87 ACHE (0.38) GRIN2BS1PR1S1PR5BCHEACHE
SCHEMBL4244048 0.85 GRIN2B (0.37) GRIN2BS1PR1S1PR5PKMBCHE
SCHEMBL4242086 0.85 MEN1 (0.42) S1PR1S1PR5BCHEACHESIGMAR1
SCHEMBL4244157 0.84 GRIN2B (0.41) GRIN2BS1PR1S1PR5ACHECHRM2

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-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US claimed
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US disclosed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 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-20090012116-A1 Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 GRIN2B 421/4885S1PR1 306/4885S1PR5 333/4885

“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.