SCHEMBL5730869

SCHEMBL5730869

Cc1c(S(C)(=O)=O)c2cccc(Cl)c2n1CC1=NCCN1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.47
ADRA2C P18825 4/20 0.47
ADRA2B P18089 2/20 0.47
ADRA1A P35348 3/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1B P35368 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL5731688 0.90 ADRA2A (0.47) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL5731772 0.87 ADRA2C (0.43) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL5730525 0.87 ADRA1A (0.53) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL5730494 0.84 TAAR1 (0.46) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL5730470 0.83 ADRA1A (0.39) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL5729356 0.82 ADRA1A (0.44) ADRA2AADRA2CADRA1AADRA1DADRA1B
SCHEMBL5731220 0.78 ADRA1A (0.47) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL5730273 0.78 ADRA2A (0.55) ADRA2AADRA2CADRA2BADRA1AADRA1D
Hydrochloric Acid SCHEMBL5730034 0.77 ADRA2A (0.57) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL27597596 0.76 ADRA1A (0.43) ADRA2AADRA2CADRA1AADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100378095-C Substituted indoles as alpha-1 agonists HOFFMANN LA ROCHE (CH) 2008-04-02 CN disclosed
EP-1501826-B1 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS HOFFMANN LA ROCHE (CH) 2006-09-27 EP disclosed
CN-1628113-A Substituted indoles as alpha-1 agonists HOFFMANN LA ROCHE (CH) 2005-06-15 CN disclosed
US-6852726-B2 Substituted indoles as alpha-1 agonists SYNTEX LLC (US) 2005-02-08 US disclosed
EP-1501826-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. Hoffman-la Roche AG (CH) 2005-02-02 EP disclosed
US-20030220319-A1 Substituted indoles as alpha-1 agonists SYNTEX (U.S.A.) LLC 2003-11-27 US disclosed
WO-2003064387-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2003-08-07 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 (1 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-20030220319-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1B ADRA2A 5/4885ADRA2C 10/4885ADRA2B 6/4885

“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.