SCHEMBL17818946

SCHEMBL17818946

O=C(O)c1cn(CC2CCOC2)c2nccc(Cl)c12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL1B P01584 4/20 0.45
P2RX7 Q99572 4/20 0.45
CNR2 P34972 8/20 0.42
CNR1 P21554 7/20 0.42
GRM4 Q14833 2/20 0.35
CYP11B2 P19099 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
SCD O00767 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
NTRK1 P04629 1/20 0.34

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
SCHEMBL21038081 0.81 P2RX7 (0.63) IL1BP2RX7
SCHEMBL17834193 0.81 IL1B (0.73) IL1BP2RX7
SCHEMBL17818776 0.80 KDM4C (0.47) IL1BP2RX7CNR2CNR1
SCHEMBL17818931 0.80 P2RX7 (0.66) IL1BP2RX7CNR2CNR1
SCHEMBL17818976 0.80 P2RX7 (0.75) IL1BP2RX7
SCHEMBL17818868 0.80 P2RX7 (0.75) IL1BP2RX7
SCHEMBL17818871 0.80 P2RX7 (0.75) IL1BP2RX7
SCHEMBL17818708 0.77 IL1B (0.59) IL1BP2RX7
SCHEMBL17818790 0.77 IL1B (0.59) IL1BP2RX7
SCHEMBL21134809 0.75 P2RX7 (0.56) 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 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 IL1B 668/4885P2RX7 2/4885CNR2 53/4885
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 IL1B 771/4885P2RX7 3/4885CNR2 53/4885
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 IL1B 668/4885P2RX7 2/4885CNR2 53/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 IL1B 771/4885P2RX7 3/4885CNR2 53/4885

“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.