SCHEMBL3398494

SCHEMBL3398494

C[C@H]1CN(Cc2cccc(-c3cc(C#N)ccn3)c2)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLNR O43193 3/20 0.43
CHRM2 P08172 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
MGLL Q99685 3/20 0.42
CHRM4 P08173 4/20 0.41
HCRTR2 O43614 1/20 0.41
FAAH O00519 1/20 0.41
KCNH2 Q12809 1/20 0.40
USP30 Q70CQ3 1/20 0.40
MET P08581 1/20 0.39
NQO2 P16083 1/20 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
SCHEMBL1363926 0.88 CHRM2 (0.40) MLNRCHRM2CHRM1CHRM3CHRM4
SCHEMBL3399340 0.85 MGLL (0.43) MGLLHCRTR2FAAH
SCHEMBL4212875 0.81 CHRM3 (0.55) CHRM2CHRM1CHRM3CHRM4KCNH2
SCHEMBL4048497 0.77 CHRM2 (0.49) CHRM2CHRM1CHRM3MGLLCHRM4
SCHEMBL1363928 0.77 CHRM3 (0.39) CHRM3CHRM4FAAHUSP30
SCHEMBL3401374 0.77 MGLL (0.47) MGLLFAAH
SCHEMBL2765775 0.75 MLNR (0.77) MLNR
SCHEMBL12143350 0.74 HDAC1 (0.41) MGLL
SCHEMBL4049044 0.74 KCNH2 (0.48) MLNRCHRM2CHRM1CHRM3MGLL
SCHEMBL14645770 0.73 MGLL (0.56) MGLLCHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
EP-2259681-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-12-15 EP disclosed
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 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 (2 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-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B MLNR 191/4885CHRM2 7/4885CHRM1 13/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 MLNR 268/4885CHRM2 4/4885CHRM1 10/4885

“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.