SCHEMBL803607

SCHEMBL803607

CN(C(=O)OC(C)(C)C)C1CCN(c2ccnc(C#N)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.45
PDE10A Q9Y233 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
PIK3CD O00329 1/20 0.41
KDM4D Q6B0I6 1/20 0.40
CHRM1 P11229 2/20 0.40
RET P07949 2/20 0.39
NPY5R Q15761 1/20 0.38
F10 P00742 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
CHRM4 P08173 1/20 0.37
F2 P00734 1/20 0.37
PLAT P00750 1/20 0.37
KLKB1 P03952 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
SCHEMBL786039 0.85 NPY5R (0.42) CHRM1NPY5RF10JAK2JAK1
SCHEMBL786080 0.82 PDE10A (0.43) GPR119PDE10AAAK1PIK3CDKDM4D
SCHEMBL803440 0.81 KDM4D (0.50) GPR119PDE10AAAK1PIK3CDKDM4D
SCHEMBL5542444 0.80 GPR119 (0.51) GPR119PDE10ANPY5R
SCHEMBL786338 0.78 GPR119 (0.45) GPR119PDE10AAAK1PIK3CDKDM4D
SCHEMBL38664526 0.78 GPR119 (0.54) GPR119CHRM1RETJAK2JAK1
SCHEMBL24962330 0.76 GPR119 (0.44) GPR119PDE10AAAK1PIK3CDCHRM1
SCHEMBL29717801 0.76 RET (0.41) KDM4DRET
SCHEMBL24542017 0.76 RET (0.41) KDM4DRET
SCHEMBL29894615 0.76 PANK3 (0.47) GPR119PDE10AAAK1RETCHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 GPR119 698/4885PDE10A 589/4885AAK1 1960/4885

“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.