SCHEMBL803370

SCHEMBL803370

Cc1cc(N2CC(N(C)C(=O)OC(C)(C)C)C2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
CHRM4 P08173 2/20 0.40
F10 P00742 2/20 0.39
KDM4D Q6B0I6 1/20 0.39
F2 P00734 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
PIK3CD O00329 1/20 0.37
SPR P35270 1/20 0.37
AURKA O14965 1/20 0.36
PDPK1 O15530 1/20 0.36
AURKB Q96GD4 1/20 0.36
CHRM1 P11229 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
HSD11B1 P28845 1/20 0.35
CHRM2 P08172 1/20 0.35
P2RX7 Q99572 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
SCHEMBL784646 0.82 CHRM4 (0.44) CHRM4F10F2PLATKLKB1
SCHEMBL21965410 0.78 GPR119 (0.48) PDE10AAAK1KDM4DSPRJAK2
SCHEMBL20510655 0.77 GPR119 (0.46) PDE10ACHRM4CHRM1JAK1WNT3A
SCHEMBL23961264 0.77 PDE10A (0.39) PDE10AAAK1KDM4DPIK3CDSPR
SCHEMBL27624495 0.76 CASP6 (0.39) PDE10AAAK1KDM4DSPRAURKA
SCHEMBL31142592 0.75 PDE10A (0.38) PDE10AAAK1CHRM4KDM4DSPR
SCHEMBL803327 0.75 KDM4D (0.53) PDE10AAAK1F10KDM4DPIK3CD
SCHEMBL786080 0.74 PDE10A (0.43) PDE10AAAK1F10KDM4DF2
SCHEMBL30540112 0.74 CHRM4 (0.38) CHRM4KDM4DCHRM1JAK2JAK1
SCHEMBL803607 0.73 GPR119 (0.45) PDE10AAAK1CHRM4F10KDM4D

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 PDE10A 589/4885AAK1 1960/4885CHRM4 469/4885

“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.