SCHEMBL17818922

SCHEMBL17818922

CN(C(=O)c1cn(C[C@@]2(C(C)(C)C)CCCN2C(=O)O)c2cccc(Cl)c12)C1(O)CCC(F)(F)CC1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 20/20 0.46
P2RX7 Q99572 17/20 0.44

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
SCHEMBL17818925 0.84 IL1B (0.65) IL1BP2RX7
SCHEMBL17818927 0.84 IL1B (0.65) IL1BP2RX7
SCHEMBL17818942 0.82 P2RX7 (0.42) IL1BP2RX7
SCHEMBL17818745 0.81 IL1B (0.47) IL1BP2RX7
SCHEMBL17818746 0.81 IL1B (0.47) IL1BP2RX7
SCHEMBL28537845 0.79 IL1B (0.58) IL1BP2RX7
SCHEMBL28537846 0.79 IL1B (0.58) IL1BP2RX7
SCHEMBL17818856 0.75 IL1B (0.74) IL1BP2RX7
SCHEMBL20995298 0.75 IL1B (0.74) IL1BP2RX7
SCHEMBL17818808 0.75 P2RX7 (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 US disclosed
EP-3233841-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES Merck Patent GmbH (DE) 2017-10-25 EP disclosed
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 (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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 IL1B 668/4885P2RX7 2/4885
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 IL1B 771/4885P2RX7 3/4885

“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.