SCHEMBL21039489

SCHEMBL21039489

O=C(NCC1CCC(F)(F)CC1)c1cn(CCO)c2cccc(Cl)c12

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.84
IL1B P01584 18/20 0.84

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
SCHEMBL17818766 0.91 P2RX7 (1.00) P2RX7IL1B
SCHEMBL17834123 0.90 P2RX7 (1.00) P2RX7IL1B
SCHEMBL17818785 0.90 P2RX7 (1.00) P2RX7IL1B
SCHEMBL17818908 0.90 P2RX7 (1.00) P2RX7IL1B
SCHEMBL17846570 0.90 P2RX7 (0.80) P2RX7IL1B
SCHEMBL1018984 0.89 P2RX7 (0.68) P2RX7IL1B
SCHEMBL17818930 0.89 P2RX7 (1.00) P2RX7IL1B
SCHEMBL17818771 0.88 P2RX7 (1.00) P2RX7IL1B
SCHEMBL17818826 0.88 P2RX7 (1.00) P2RX7IL1B
SCHEMBL1019676 0.88 P2RX7 (0.70) P2RX7IL1B

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
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2020-06-09 US disclosed
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2019-05-30 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-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 P2RX7 2/4885IL1B 668/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 P2RX7 3/4885IL1B 771/4885

“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.