SCHEMBL5730950

SCHEMBL5730950

CCCc1c(S(C)(=O)=O)c2cc(Cl)ccc2n1CC1=NCCN1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 8/20 0.44
ADRA1D P25100 7/20 0.44
ADRA1B P35368 7/20 0.44
ADRA2C P18825 6/20 0.44
ADRA2A P08913 5/20 0.44
HTR1D P28221 1/20 0.36
ADRA2B P18089 1/20 0.35
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 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
SCHEMBL5729362 0.93 ADRA1A (0.47) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5730355 0.91 ADRA1A (0.44) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5729295 0.89 ADRA1A (0.42) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5730983 0.89 ADRA1A (0.45) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5730482 0.86 ADRA1A (0.48) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5731220 0.85 ADRA1A (0.47) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5730673 0.83 ADRA1A (0.44) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5729745 0.83 ADRA1A (0.45) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5730989 0.83 ADRA1A (0.47) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5730669 0.80 ADRA1A (0.42) ADRA1AADRA1DADRA1BADRA2CADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501826-B1 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS HOFFMANN LA ROCHE (CH) 2006-09-27 EP 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 ADRA1A 1/4885ADRA1D 4/4885ADRA1B 3/4885

“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.