SCHEMBL5348354

SCHEMBL5348354

CCCc1c(CN(C)C)cccc1OC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 11/20 0.47
▸ SLC6A2 P23975 10/20 0.47
▸ SLC6A3 Q01959 9/20 0.47
▸ ALOX5 P09917 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ AOC3 Q16853 1/20 0.42
▸ HTR7 P34969 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.40
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39

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
SCHEMBL5343889 0.86 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3AOC3HTR7
SCHEMBL19545861 0.82 ALOX5 (0.49) ALOX5PTGS2TAAR1
SCHEMBL8564056 0.80 CA1 (0.48) ALOX5PTGS2HTR2ATAAR1
SCHEMBL9176631 0.79 ALOX5 (0.46) ALOX5PTGS2AOC3CHRM2TAAR1
Hydrochloric Acid SCHEMBL9176192 0.79 PPARG (0.47) SLC6A4SLC6A2SLC6A3PTGS2
SCHEMBL9174609 0.79 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3AOC3HTR7
SCHEMBL735118 0.76 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3AOC3HTR7
SCHEMBL14684800 0.76 ALOX5 (0.42) ALOX5PTGS2AOC3HTR7
SCHEMBL13964519 0.75 PTGS2 (0.49) ALOX5PTGS2AOC3CHRM2TAAR1
SCHEMBL5675723 0.75 MEN1 (0.54) SLC6A4SLC6A2SLC6A3

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
US-7276528-B2 Compounds for the inhibition of nitric oxide synthase ASTRAZENECA AB (SE) 2007-10-02 — — US disclosed
US-7119122-B2 Compounds for the inhibition of nitric oxide synthase ASTRAZENECA AB (SE) 2006-10-10 — — US disclosed
US-20060217424-A1 Nitro- or cyanopyridines substituted by an aminoalkylaryloxy- or aminoalkylarylethio- group, e.g., 2-(2-methoxy-3-methylaminomethyl-phenoxy)-6-trifluoromethyl-nicotinonitrile; treating rheumatoid arthritis, osteoarthritis, inflammatory bowel disease, chronic obstructive pulmonary disease and pain CONNOLLY STEPHEN 2006-09-28 — — US disclosed
US-20040260088-A1 2,4-disubstituted benzonitriles or nitrobenzenes; nitric oxide synthase inhibitors; antiinflammatory agents, analgesics; central nervous system disorders, migraines ASTRAZENECA AB (SE) 2004-12-23 — — US disclosed
EP-1434756-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-07-07 — — EP disclosed
WO-2003029185-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-04-10 — — WO disclosed
US-6251928-B1 ADMINISTERING BENZYLIDENE RHODANINES WHICH ARE USEFUL AS AGENTS IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH BETA-AMYLOID PEPTIDE IN A MAMMAL ELI LILLY AND COMPANY 2001-06-26 — — US disclosed
US-5747517-A ALZHEIMER'S DISEASE; PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 1998-05-05 — — US disclosed
EP-0677517-A1 Treatment of Alzheimer's disease employing inhibitors of cathepsin D ELI LILLY AND COMPANY (US) 1995-10-18 — — EP disclosed
US-5393768-A Treating hypersensitivity reactions such as asthma ELI LILLY AND COMPANY (US) 1995-02-28 — — US disclosed
US-5105017-A Antiallergens ELI LILLY AND COMPANY (US) 1992-04-14 — — US disclosed
EP-0132366-B1 LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1990-01-03 — — EP disclosed
EP-0132366-A2 Leukotriene antagonists ELI LILLY AND COMPANY (US) 1985-01-30 — — EP 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-20040260088-A1 2,4-disubstituted benzonitriles or nitrobenzenes; nitric oxide synthase inhibitors; antiinflammatory agents, analgesics; central nervous system disorders, migraines NOS1, NOS3, NOS2 SLC6A4 395/4885SLC6A2 870/4885SLC6A3 1351/4885
US-20060217424-A1 Nitro- or cyanopyridines substituted by an aminoalkylaryloxy- or aminoalkylarylethio- group, e.g., 2-(2-methoxy-3-methylaminomethyl-phenoxy)-6-trifluoromethyl-nicotinonitrile; treating rheumatoid arthritis, osteoarthritis, inflammatory bowel disease, chronic obstructive pulmonary disease and pain NOS3, NOS1, NOS2 SLC6A4 1110/4885SLC6A2 1537/4885SLC6A3 2407/4885

“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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