SCHEMBL19122500

SCHEMBL19122500

Cc1ccc(CC(CO)C(C)C)nc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 6/20 0.35

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
SCHEMBL15431066 0.73 GCGR (0.33) GCGR
SCHEMBL19919593 0.67 ESR1 (0.37) —
SCHEMBL22246660 0.65 TRPA1 (0.39) GCGR
SCHEMBL22880763 0.65 ESR1 (0.30) —
SCHEMBL4967833 0.65 PTPRA (0.53) —
SCHEMBL10391848 0.64 CCR1 (0.40) GCGR
SCHEMBL13619155 0.64 SYK (0.40) —
SCHEMBL12512787 0.63 LMNA (0.32) GCGR
SCHEMBL12848429 0.63 NOS3 (0.34) GCGR
SCHEMBL19779061 0.62 CASR (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 — — 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 (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-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 GCGR 336/4885

“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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