SCHEMBL2007601

SCHEMBL2007601

C[C@H]1CCC[C@](O)(CNC(=O)c2c(Cl)ccc3nc(N4CC[C@H](O)C4)ccc23)C1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.85

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
SCHEMBL2010217 1.00 P2RX7 (0.85) P2RX7
SCHEMBL2007598 1.00 P2RX7 (0.85) P2RX7
SCHEMBL2010222 1.00 P2RX7 (0.85) P2RX7
SCHEMBL2005583 0.96 P2RX7 (0.83) P2RX7
SCHEMBL3670038 0.96 P2RX7 (0.83) P2RX7
SCHEMBL2005585 0.96 P2RX7 (0.83) P2RX7
SCHEMBL17323934 0.92 P2RX7 (1.00) P2RX7
SCHEMBL17324016 0.92 P2RX7 (1.00) P2RX7
SCHEMBL17324059 0.92 P2RX7 (1.00) P2RX7
SCHEMBL17323944 0.92 P2RX7 (1.00) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9399623-B2 Quinoline derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2016-07-26 US claimed
US-20150353497-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2015-12-10 US claimed
EP-2139879-B1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2012-07-11 EP claimed
US-7964616-B2 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide; rheumatoid arthritis ASTRAZENECA AB (SE) 2011-06-21 US claimed
US-20080234319-A1 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide; rheumatoid arthritis ASTRAZENECA AB (SE) 2008-09-25 US claimed
CN-106573907-B Quinoline derivatives and their use for neurodegenerative diseases 默克专利有限公司 2020-09-08 CN 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
EP-2139879-B1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2012-07-11 EP disclosed
EP-2139879-B1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2012-07-11 EP disclosed
US-7964616-B2 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide; rheumatoid arthritis ASTRAZENECA AB (SE) 2011-06-21 US disclosed
US-7964616-B2 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide; rheumatoid arthritis ASTRAZENECA AB (SE) 2011-06-21 US disclosed
US-7964616-B2 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide; rheumatoid arthritis ASTRAZENECA AB (SE) 2011-06-21 US disclosed
US-20080234319-A1 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide; rheumatoid arthritis ASTRAZENECA AB (SE) 2008-09-25 US disclosed
US-20080234319-A1 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide; rheumatoid arthritis ASTRAZENECA AB (SE) 2008-09-25 US disclosed
US-20080234319-A1 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide; rheumatoid arthritis ASTRAZENECA AB (SE) 2008-09-25 US disclosed
WO-2008114002-A1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2008-09-25 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 1/4885
US-20080234319-A1 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide; rheumatoid arthritis CNKSR1, HRH4, HRH1 P2RX7 175/4885

“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.