SCHEMBL17818776

SCHEMBL17818776

O=C(O)c1cn(CC2CCCO2)c2nccc(Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.47
P2RX7 Q99572 15/20 0.45
IL1B P01584 14/20 0.45
KDM4E B2RXH2 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42

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
SCHEMBL17818946 0.80 IL1B (0.45) P2RX7IL1BCNR1CNR2
SCHEMBL17818726 0.80 P2RX7 (0.66) P2RX7IL1BCNR1CNR2
SCHEMBL17834191 0.80 P2RX7 (0.73) P2RX7IL1B
SCHEMBL17818948 0.80 P2RX7 (0.75) P2RX7IL1B
SCHEMBL17818851 0.77 P2RX7 (0.75) P2RX7IL1B
SCHEMBL17818966 0.77 P2RX7 (0.75) P2RX7IL1B
SCHEMBL17818907 0.77 P2RX7 (0.66) P2RX7IL1BCNR1CNR2
SCHEMBL17818957 0.74 P2RX7 (0.64) P2RX7IL1B
SCHEMBL17818705 0.73 KDM4E (0.34) KDM4CP2RX7KDM4E
SCHEMBL17818874 0.70 CNR1 (0.47) KDM4CP2RX7IL1BCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207476-B Indole and azaindole derivatives and their use in neurodegenerative diseases 默克专利有限公司 2021-03-19 CN disclosed
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2020-06-09 US disclosed
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 US disclosed
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2019-05-30 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 (4 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 KDM4C 3071/4885P2RX7 2/4885IL1B 668/4885
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 KDM4C 2845/4885P2RX7 3/4885IL1B 771/4885
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 KDM4C 3071/4885P2RX7 2/4885IL1B 668/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 KDM4C 2845/4885P2RX7 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.