SCHEMBL4331430

SCHEMBL4331430

CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(=O)NCCCCN2CCCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 2/20 0.56
AGTR1 P30556 1/20 0.51
AGTR2 P50052 1/20 0.51

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
SCHEMBL4367080 0.99 GPR4 (0.54) GPR4AGTR1AGTR2
SCHEMBL4320368 0.83 AGTR1 (0.42) GPR4AGTR1AGTR2
SCHEMBL4323454 0.83 GPR4 (0.52) GPR4
SCHEMBL4323458 0.83 GPR4 (0.53) GPR4
SCHEMBL6046535 0.83 GPR4 (0.71) GPR4AGTR1AGTR2
SCHEMBL5430126 0.82 GPR4 (0.61) GPR4AGTR1AGTR2
SCHEMBL4320371 0.82 GPR4 (0.42) GPR4AGTR1AGTR2
SCHEMBL13578531 0.82 GPR4 (0.52) GPR4
SCHEMBL4323461 0.81 GPR4 (0.53) GPR4
SCHEMBL13634003 0.79 GPR4 (0.58) GPR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150216867-A1 COMPOUNDS FOR USE IN GASTRIC COMPLICATION NOVARTIS AG (CH) 2015-08-06 US disclosed
WO-2009144201-A1 IMIDAZOPYRIDINE DERIVATIVES AS GPR4 RECEPTOR MODULATORS NOVARTIS AG (CH) 2009-12-03 WO disclosed
WO-2009144201-A1 IMIDAZOPYRIDINE DERIVATIVES AS GPR4 RECEPTOR MODULATORS NOVARTIS AG (CH) 2009-12-03 WO disclosed
US-20090291942-A1 IMIDAZO PYRIDINE DERIVATIVES TARACIDO IVAN CORNELLA 2009-11-26 US disclosed
US-20090291942-A1 IMIDAZO PYRIDINE DERIVATIVES TARACIDO IVAN CORNELLA 2009-11-26 US disclosed
US-20090291942-A1 IMIDAZO PYRIDINE DERIVATIVES TARACIDO IVAN CORNELLA 2009-11-26 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-20150216867-A1 COMPOUNDS FOR USE IN GASTRIC COMPLICATION GPR4, FABP6, GIPR GPR4 1/4885AGTR1 843/4885AGTR2 759/4885
US-20090291942-A1 IMIDAZO PYRIDINE DERIVATIVES FLT4, UACA, FLT1 GPR4 119/4885AGTR1 819/4885AGTR2 776/4885

“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.