SCHEMBL5548766

SCHEMBL5548766

Cc1nc(Cc2ncc[nH]2)c(C)s1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.46
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR1A P08908 1/20 0.41
TERT O14746 1/20 0.37
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL954757 0.71 TAAR1 (0.56) TAAR1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL1679282 0.71 TAAR1 (0.64) TAAR1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL28277587 0.69 TAAR1 (0.67) TAAR1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL27554365 0.68 TAAR1 (0.65) TAAR1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL13372830 0.68 TAAR1 (0.80) TAAR1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL954645 0.67 TAAR1 (0.65) TAAR1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL29748356 0.67 TAAR1 (0.59) TAAR1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL28062277 0.66 TAAR1 (0.58) TAAR1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL11295562 0.66 TAAR1 (0.69) TAAR1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL1509682 0.66 TAAR1 (0.67) TAAR1ADRA2AADRA2BADRA2CHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
CN-1426303-A Thiazole, imidazole and oxazole compounds and treatment of diseases associated with protein aging ALTEON INC (US) 2003-06-25 CN 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 TAAR1 2045/4885ADRA2A 3730/4885ADRA2B 4096/4885
US-20060014781-A1 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging ABAT, HSPE1, TXN2 TAAR1 2836/4885ADRA2A 3849/4885ADRA2B 4175/4885

“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.