SCHEMBL31688019

SCHEMBL31688019

COc1cc(-c2cc3c(o2)c(=O)n(-c2cncc4ccccc24)c(=O)n3CC2(C#N)CC2)c(Cl)cc1F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 3/20 0.34
▸ MCHR1 Q99705 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31
▸ ABCC1 P33527 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL31688010 0.89 NPBWR1 (0.36) NPBWR1MCHR1P2RX7ABCC1ABCG2
SCHEMBL31688006 0.87 NPBWR1 (0.36) NPBWR1MCHR1P2RX7ABCC1ABCG2
SCHEMBL27192017 0.86 P2RX7 (0.32) NPBWR1P2RX7
SCHEMBL31688009 0.83 NPBWR1 (0.36) NPBWR1MCHR1P2RX7ABCC1ABCG2
SCHEMBL31688018 0.78 SCN9A (0.32) NPBWR1
SCHEMBL31687992 0.77 PRKDC (0.30) —
SCHEMBL31688011 0.76 HSD17B10 (0.38) NPBWR1MCHR1P2RX7ABCC1ABCG2
SCHEMBL27192264 0.74 P2RX7 (0.34) NPBWR1P2RX7
SCHEMBL27192206 0.73 — —
SCHEMBL27192020 0.73 P2RX7 (0.34) NPBWR1P2RX7

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-20250296936-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-09-25 — — 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-20250296936-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE NPBWR1 4288/4885MCHR1 4727/4885P2RX7 4279/4885

“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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