SCHEMBL4371048

SCHEMBL4371048

Cc1cc(C)c2nc(C(C)C)n(Cc3ccc(/C=C/CN4CCC(N5CCCCC5)CC4)cc3)c2n1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 19/20 0.73
KCNH2 Q12809 3/20 0.57
HRH3 Q9Y5N1 3/20 0.57
CTSK P43235 1/20 0.42

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
SCHEMBL4371050 1.00 GPR4 (0.73) GPR4KCNH2HRH3CTSK
Hydrochloric Acid SCHEMBL4374356 0.99 GPR4 (0.72) GPR4KCNH2HRH3CTSK
Hydrochloric Acid SCHEMBL4374357 0.99 GPR4 (0.72) GPR4KCNH2HRH3CTSK
SCHEMBL4369325 0.90 GPR4 (0.69) GPR4KCNH2HRH3CTSK
SCHEMBL4369327 0.90 GPR4 (0.69) GPR4KCNH2HRH3CTSK
SCHEMBL4375150 0.87 GPR4 (0.70) GPR4KCNH2HRH3CTSK
SCHEMBL4375152 0.87 GPR4 (0.70) GPR4KCNH2HRH3CTSK
Hydrochloric Acid SCHEMBL4329780 0.87 GPR4 (0.69) GPR4KCNH2HRH3CTSK
Hydrochloric Acid SCHEMBL4329777 0.87 GPR4 (0.69) GPR4KCNH2HRH3CTSK
SCHEMBL4330932 0.86 GPR4 (0.71) GPR4KCNH2HRH3

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 1/4885KCNH2 4072/4885HRH3 134/4885
US-20090291942-A1 IMIDAZO PYRIDINE DERIVATIVES FLT4, UACA, FLT1 GPR4 119/4885KCNH2 1427/4885HRH3 331/4885

“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.