SCHEMBL1363926

SCHEMBL1363926

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
MLNR O43193 2/20 0.40
GPR6 P46095 2/20 0.39
GPR119 Q8TDV5 2/20 0.39
CHRM4 P08173 4/20 0.39
USP30 Q70CQ3 1/20 0.38
MET P08581 1/20 0.38
NQO2 P16083 1/20 0.38
HCRTR2 O43614 1/20 0.38
RET P07949 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
KCNH2 Q12809 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
SCHEMBL3398494 0.88 MLNR (0.43) CHRM2CHRM1CHRM3MLNRCHRM4
SCHEMBL12143350 0.87 HDAC1 (0.41) GPR119TBK1
SCHEMBL1362603 0.86 HDAC1 (0.39) GPR119TBK1
SCHEMBL12053521 0.85 MGLL (0.38) GPR119USP30TBK1
SCHEMBL1467716 0.84 MGLL (0.41) GPR119USP30TBK1
SCHEMBL1467718 0.84 MGLL (0.41) GPR119USP30TBK1
SCHEMBL1468730 0.84 MGLL (0.41) GPR119USP30TBK1
SCHEMBL1631044 0.80 CHRM4 (0.45) CHRM2CHRM1CHRM3GPR119CHRM4
SCHEMBL1362389 0.79 MGLL (0.41) GPR119
SCHEMBL16627301 0.79 GPR119 (0.50) MLNRGPR119CHRM4

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 11 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
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US 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
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
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 CHRM2 7/4885CHRM1 13/4885CHRM3 8/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 CHRM2 4/4885CHRM1 10/4885CHRM3 5/4885

“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.