SCHEMBL785086

SCHEMBL785086

Cc1ncc2n1C(=O)N(C1CCC(N(C)C(=O)OC(C)(C)C)CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.40
F2 P00734 2/20 0.39
PDE10A Q9Y233 1/20 0.33
PIK3CD O00329 1/20 0.33
KAT6A Q92794 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
SPR P35270 6/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
JAK1 P23458 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
HSD11B1 P28845 1/20 0.32
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
KDM4D Q6B0I6 1/20 0.31

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
SCHEMBL3450432 0.81 F10 (0.49) F10F2PIK3CAJAK1
SCHEMBL3448412 0.79 F10 (0.51) F10F2GPR119
SCHEMBL3449436 0.79 F10 (0.42) F10F2
SCHEMBL803500 0.78 PIK3CD (0.35) PDE10APIK3CDKAT6AKAT8SPR
SCHEMBL3448283 0.78 F10 (0.47) F10F2GPR119
SCHEMBL3449009 0.74 F10 (0.45) F10F2
SCHEMBL3449430 0.73 F10 (0.49) F10F2
SCHEMBL949125 0.73 F10 (0.43) F10F2JAK1JAK2JAK3
SCHEMBL3448470 0.73 F10 (0.47) F10F2AAK1
SCHEMBL3447657 0.73 HSD17B10 (0.52) F10F2

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 8 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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP 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
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 F10 524/4885F2 455/4885PDE10A 589/4885

“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.