SCHEMBL17835240

SCHEMBL17835240

CC1CC(CNC(=O)c2cn(CC3CCCN3C(=O)OC(C)(C)C)c3cccc(Cl)c23)CC(F)(F)C1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 17/20 0.81
P2RX7 Q99572 19/20 0.73

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
SCHEMBL17818879 0.89 IL1B (1.00) IL1BP2RX7
SCHEMBL17858273 0.89 IL1B (1.00) IL1BP2RX7
SCHEMBL17818752 0.87 IL1B (0.96) IL1BP2RX7
SCHEMBL17818849 0.85 P2RX7 (1.00) IL1BP2RX7
SCHEMBL17818858 0.84 IL1B (1.00) IL1BP2RX7
SCHEMBL17818937 0.84 IL1B (1.00) IL1BP2RX7
SCHEMBL17818807 0.84 P2RX7 (0.63) IL1BP2RX7
SCHEMBL17818783 0.80 IL1B (1.00) IL1BP2RX7
SCHEMBL17818864 0.80 P2RX7 (1.00) IL1BP2RX7
SCHEMBL17818973 0.79 IL1B (0.70) IL1BP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016100281-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-23 WO disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 IL1B 668/4885P2RX7 2/4885

“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.