SCHEMBL17818795

SCHEMBL17818795

O=CCCn1cc(C(=O)C(F)(F)F)c2c(Cl)cccc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.45
IL1B P01584 13/20 0.45
KDM4E B2RXH2 1/20 0.41
IDO1 P14902 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL17818796 0.85 P2RX7 (0.60) P2RX7IL1BKDM4EIDO1CNR1
SCHEMBL17818841 0.84 P2RX7 (0.57) P2RX7IL1BKDM4E
SCHEMBL17835234 0.84 P2RX7 (0.46) P2RX7IL1BKDM4EIDO1CNR1
SCHEMBL17818961 0.82 P2RX7 (0.58) P2RX7IL1BKDM4EIDO1CNR1
SCHEMBL2036958 0.82 P2RX7 (0.64) P2RX7IL1B
SCHEMBL17818859 0.79 P2RX7 (0.49) P2RX7IL1B
SCHEMBL17818784 0.78 P2RX7 (0.62) P2RX7IL1B
SCHEMBL29051449 0.78 HTT (0.60) P2RX7IL1BKDM4EIDO1CNR1
SCHEMBL17818765 0.74 IL1B (0.62) P2RX7IL1B
SCHEMBL17818982 0.73 P2RX7 (0.61) P2RX7IL1BCNR1CNR2

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 13 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-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-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
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
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
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 US 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 P2RX7 2/4885IL1B 668/4885KDM4E 2549/4885
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 P2RX7 3/4885IL1B 771/4885KDM4E 2136/4885
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 P2RX7 2/4885IL1B 668/4885KDM4E 2549/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 P2RX7 3/4885IL1B 771/4885KDM4E 2136/4885

“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.