SCHEMBL5548739

SCHEMBL5548739

Cc1nc(CN(C)C)c(C)s1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.37
HTR7 P34969 1/20 0.30
CYP2A6 P11509 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
SCHEMBL24805360 0.75 CYP3A4 (0.30)
SCHEMBL6760698 0.73
SCHEMBL20498123 0.71
SCHEMBL12116509 0.70 HRH3 (0.54) HTR7
Hydrochloric Acid SCHEMBL5013629 0.70 SLC6A3 (0.38) SLC6A3
SCHEMBL21843833 0.70 SLC6A3 (0.35) SLC6A3
SCHEMBL24946079 0.70 SLC6A3 (0.35) SLC6A3
SCHEMBL2089836 0.68 SLC6A3 (0.37) SLC6A3
SCHEMBL13566369 0.68 SLC6A3 (0.37) SLC6A3
SCHEMBL12862548 0.68 SLC6A3 (0.40) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021093820-A1 AMIDE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 成都百裕制药股份有限公司 2021-05-20 WO disclosed
EP-1248615-B1 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON INC (US) 2007-05-30 EP disclosed
EP-1248615-B1 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON INC (US) 2007-05-30 EP disclosed
EP-1785134-A2 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging ALTEON, INC. (US) 2007-05-16 EP disclosed
EP-1785134-A2 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging ALTEON, INC. (US) 2007-05-16 EP disclosed
US-20060014781-A1 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging SYNVISTA THERAPEUTICS, INC. 2006-01-19 US disclosed
US-6960605-B2 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging ALTEON, INC. (US) 2005-11-01 US disclosed
EP-1248615-A4 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON INC (US) 2004-08-04 EP disclosed
EP-1248615-A1 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING Alteon, Inc. (US) 2002-10-16 EP disclosed
US-20020022622-A1 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging SYNVISTA THERAPEUTICS, INC. 2002-02-21 US disclosed
WO-2001052847-A1 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON, INC. (US) 2001-07-26 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-20020022622-A1 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging ABAT, NDUFAB1, HSPE1 SLC6A3 4412/4885HTR7 3797/4885CYP2A6 2774/4885
US-20060014781-A1 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging ABAT, HSPE1, TXN2 SLC6A3 4462/4885HTR7 3768/4885CYP2A6 3337/4885

“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.