SCHEMBL17310969

SCHEMBL17310969

O=C(O)c1c(Cl)ccc2nc(N3CCC3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 18/20 0.54
▸ FABP3 P05413 1/20 0.42
▸ FABP4 P15090 1/20 0.42
▸ FABP5 Q01469 1/20 0.42
▸ HRH3 Q9Y5N1 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
SCHEMBL17311170 0.97 P2RX7 (0.57) P2RX7FABP3FABP4FABP5HRH3
SCHEMBL17310964 0.83 P2RX7 (0.64) P2RX7
SCHEMBL17310957 0.83 P2RX7 (0.59) P2RX7
SCHEMBL17311006 0.83 P2RX7 (0.64) P2RX7
SCHEMBL17310967 0.83 P2RX7 (0.64) P2RX7
SCHEMBL17311085 0.82 P2RX7 (0.50) P2RX7HRH3
SCHEMBL17311182 0.82 P2RX7 (0.52) P2RX7
SCHEMBL17311007 0.82 P2RX7 (0.52) P2RX7
SCHEMBL17311002 0.81 P2RX7 (0.53) P2RX7
SCHEMBL17311126 0.80 P2RX7 (0.57) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573907-B Quinoline derivatives and their use for neurodegenerative diseases 默克专利有限公司 2020-09-08 — — CN disclosed
EP-3152192-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES Merck Patent GmbH (DE) 2017-04-12 — — EP disclosed
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-10-13 — — US disclosed
US-9399623-B2 Quinoline derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2016-07-26 — — US disclosed
US-20150353497-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2015-12-10 — — US disclosed
WO-2015187905-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2015-12-10 — — WO 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-20150353497-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX7, P2RX3, P2RX1 P2RX7 1/4885FABP3 3550/4885FABP4 4501/4885
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX7, P2RX3, P2RX1 P2RX7 1/4885FABP3 3550/4885FABP4 4501/4885

“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.

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