SCHEMBL4108043

SCHEMBL4108043

COc1ccc(Cn2c(CCc3ccccc3)nnc2C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 20/20 0.81

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
SCHEMBL743442 1.00 GHSR (0.81) GHSR
SCHEMBL4101225 0.95 GHSR (0.86) GHSR
SCHEMBL4101222 0.95 GHSR (0.86) GHSR
SCHEMBL743990 0.93 GHSR (0.72) GHSR
SCHEMBL745338 0.92 GHSR (0.80) GHSR
SCHEMBL4107446 0.92 GHSR (0.82) GHSR
SCHEMBL743992 0.92 GHSR (0.82) GHSR
SCHEMBL3412220 0.91 GHSR (0.85) GHSR
SCHEMBL3679545 0.90 GHSR (1.00) GHSR
SCHEMBL3679140 0.90 GHSR (1.00) GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604594-A1 1,2,4-Triazole derivatives as ghrelin analogue ligands of GHS receptors Æterna Zentaris GmbH (DE) 2013-06-19 — — EP disclosed
US-20090239877-A1 NOVEL 1,2,4-TRIAZOLE DERIVATIVES AND PROCESS OF MANUFACTURING THEREOF AETERNA ZENTARIS GMBH (DE) 2009-09-24 — — US disclosed
EP-2103602-A1 Novel 1,2,4-triazole derivatives and process of manufacturing thereof AEterna Zentaris GmbH (DE) 2009-09-23 — — EP 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-20090239877-A1 NOVEL 1,2,4-TRIAZOLE DERIVATIVES AND PROCESS OF MANUFACTURING THEREOF CYP3A4, CYP4B1, CYP1B1 GHSR 3017/4885

“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.

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