SCHEMBL2007619

SCHEMBL2007619

C[C@H]1CCC[C@@](O)(CN)C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
FUCA1 P04066 1/20 0.33
IL1B P01584 3/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL2034305 1.00 CYP1A2 (0.43) CYP1A2FUCA1IL1BP2RX7
SCHEMBL17310987 1.00 CYP1A2 (0.43) CYP1A2FUCA1IL1BP2RX7
Hydrochloric Acid SCHEMBL3665520 0.98 CYP1A2 (0.42) CYP1A2FUCA1
Hydrochloric Acid SCHEMBL2007789 0.98 CYP1A2 (0.42) CYP1A2FUCA1
SCHEMBL14533705 0.81 CYP1A2 (0.44) CYP1A2IL1BP2RX7
SCHEMBL17835224 0.81 CYP1A2 (0.44) CYP1A2IL1BP2RX7
SCHEMBL17490615 0.81 CYP1A2 (0.44) CYP1A2IL1BP2RX7
SCHEMBL17835197 0.81 CYP1A2 (0.44) CYP1A2IL1BP2RX7
SCHEMBL16907745 0.81 CYP1A2 (0.44) CYP1A2IL1BP2RX7
SCHEMBL17835200 0.81 CYP1A2 (0.44) CYP1A2IL1BP2RX7

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-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
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-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
EP-2139879-A1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2010-01-06 EP 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
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 (5 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-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 CYP1A2 1409/4885FUCA1 4282/4885IL1B 771/4885
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX7, P2RX3, P2RX1 CYP1A2 1830/4885FUCA1 4234/4885IL1B 544/4885
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 CYP1A2 1617/4885FUCA1 4068/4885IL1B 668/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 CYP1A2 1409/4885FUCA1 4282/4885IL1B 771/4885
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 CYP1A2 23/4885FUCA1 4066/4885IL1B 288/4885

“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.