SCHEMBL4244052

SCHEMBL4244052

O=C(OCC1C2CCC1CN(Cc1ccccc1)C2)N(Cc1c[nH]cn1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.39
CHRM1 P11229 5/20 0.39
CHRM3 P20309 5/20 0.39
GRIN2B Q13224 1/20 0.39
ACHE P22303 7/20 0.37
BCHE P06276 4/20 0.37
PKM P14618 1/20 0.36
MAOB P27338 2/20 0.36
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL4248347 0.85 CHRM2 (0.52) CHRM2CHRM1CHRM3GRIN2BACHE
SCHEMBL4245972 0.83 GRIN2B (0.40) GRIN2BACHEBCHEMAOB
SCHEMBL4238211 0.81 CHRM2 (0.47) CHRM2CHRM1CHRM3ACHEBCHE
SCHEMBL4241506 0.81 CHRM2 (0.48) CHRM2CHRM1CHRM3ACHEBCHE
SCHEMBL4240894 0.79 CHRM2 (0.47) CHRM2CHRM1CHRM3GRIN2BACHE
SCHEMBL4248182 0.78 ACHE (0.48) ACHEBCHEPKMMAOB
SCHEMBL4237271 0.78 CHRM2 (0.46) CHRM2CHRM1CHRM3ACHEBCHE
SCHEMBL4237321 0.78 SIGMAR1 (0.44) CHRM2CHRM1CHRM3GRIN2BACHE
SCHEMBL4244214 0.78 KCNH2 (0.45) CHRM2CHRM1CHRM3ACHEBCHE
SCHEMBL4250571 0.77 CHRM2 (0.52) CHRM2CHRM1CHRM3ACHEOPRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 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-20090012116-A1 Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 CHRM2 2/4885CHRM1 5/4885CHRM3 1/4885

“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.