SCHEMBL2653452

SCHEMBL2653452

CN(C)c1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2CCOc2ccccc2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.45
PTGER4 P35408 6/20 0.44
ENPP2 Q13822 1/20 0.43
NPC1 O15118 1/20 0.42
CXCR3 P49682 2/20 0.40
PPARG P37231 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
MAPK10 P53779 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
ADORA2A P29274 1/20 0.38
PIN1 Q13526 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2654051 0.82 PPARG (0.55) ENPP2PPARGKMT2AMAPT
SCHEMBL2653945 0.79 GCGR (0.45) PPARG
SCHEMBL2652463 0.79 PTGER4 (0.51) RIPK2PTGER4NPC1HDAC6SIRT2
SCHEMBL2653211 0.78 CNR2 (0.48) NPC1HDAC6MAPK1TP53MAPT
SCHEMBL2652327 0.76 PTGER4 (0.49) PTGER4NPC1PIN1
SCHEMBL2652680 0.75 TP53 (0.46) RIPK2PTGER4ENPP2NPC1PPARG
SCHEMBL2661876 0.74 PTGER4 (0.51) RIPK2PTGER4KMT2APIN1TP53
SCHEMBL2651445 0.73 MRGPRX1 (0.49) PTGER4NPC1PIN1
SCHEMBL2653215 0.72 PTGER4 (0.46) PTGER4ENPP2HDAC6SIRT2TP53
SCHEMBL9246297 0.69 PTGER4 (0.58) RIPK2PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212119-A1 Novel glucagon receptor antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-11-13 US disclosed
WO-2003053938-A1 BENZIMIDAZOLS AND INDOLS AS GLUCAGON RECEPTOR ANTAGONISTS/INVERSE AGONISTEN NOVO NORDISK A/S (DK) 2003-07-03 WO 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-20030212119-A1 Novel glucagon receptor antagonists/inverse agonists GLP1R, GCGR, GIPR RIPK2 862/4885PTGER4 412/4885ENPP2 276/4885

“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.