SCHEMBL4363665

SCHEMBL4363665

CCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(/C=C/CN2CCN(C(C)C)CC2)cc1

nearest known ligand 0.90

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 12/20 0.90
KCNH2 Q12809 3/20 0.84
HRH3 Q9Y5N1 3/20 0.84
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47

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
SCHEMBL4363668 1.00 GPR4 (0.90) GPR4KCNH2HRH3AGTR1AGTR2
Hydrochloric Acid SCHEMBL4341771 0.99 GPR4 (0.89) GPR4KCNH2HRH3AGTR1AGTR2
Hydrochloric Acid SCHEMBL4341767 0.99 GPR4 (0.89) GPR4KCNH2HRH3AGTR1AGTR2
SCHEMBL4363708 0.95 GPR4 (1.00) GPR4KCNH2HRH3AGTR1AGTR2
SCHEMBL4363714 0.95 GPR4 (1.00) GPR4KCNH2HRH3AGTR1AGTR2
Hydrochloric Acid SCHEMBL4362584 0.94 GPR4 (0.98) GPR4KCNH2HRH3AGTR1AGTR2
Hydrochloric Acid SCHEMBL4362578 0.94 GPR4 (0.98) GPR4KCNH2HRH3AGTR1AGTR2
SCHEMBL4326234 0.91 GPR4 (1.00) GPR4KCNH2HRH3
SCHEMBL4326230 0.91 GPR4 (1.00) GPR4KCNH2HRH3
SCHEMBL4374338 0.87 GPR4 (1.00) 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
EP-2900237-A1 COMPOUNDS FOR USE IN GASTRIC COMPLICATION Novartis AG (CH) 2015-08-05 EP 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.