SCHEMBL4722295

SCHEMBL4722295

COc1ccc2c(CC3=NCCN3)cn(S(C)(=O)=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.47
ADRA1A P35348 4/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1B P35368 3/20 0.47
HTR1B P28222 2/20 0.47
HTR6 P50406 8/20 0.44
PTGIR P43119 1/20 0.43
ADRA2C P18825 3/20 0.40
TAAR1 Q96RJ0 3/20 0.38
ADRA2B P18089 2/20 0.37
HTR1D P28221 1/20 0.37
MAPK1 P28482 2/20 0.37
NISCH Q9Y2I1 2/20 0.37
LMNA P02545 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL4717682 0.85 ADRA1A (0.46) ADRA2AADRA1AADRA1DADRA1BHTR1B
SCHEMBL6319912 0.85 HTR1D (0.44) ADRA2AADRA1AADRA1DADRA1BHTR1B
SCHEMBL4717077 0.85 ADRA2C (0.46) ADRA2AADRA1AADRA1DADRA1BHTR1B
SCHEMBL4719739 0.82 HTR1B (0.44) ADRA2AADRA1AADRA1DADRA1BHTR1B
SCHEMBL4717753 0.82 HTR6 (0.53) ADRA2AADRA1AADRA1DADRA1BHTR6
SCHEMBL4717783 0.78 ADRA2C (0.46) ADRA2AADRA1AADRA1DADRA1BHTR1B
SCHEMBL4717081 0.78 ADRA2A (0.46) ADRA2AADRA1AADRA1DADRA1BHTR1B
SCHEMBL4717770 0.77 HTR1D (0.38) ADRA2AADRA1AADRA1DADRA1BHTR1B
SCHEMBL4719690 0.77 HTR6 (0.44) ADRA2AADRA1AHTR1BHTR6ADRA2C
SCHEMBL6319750 0.76 HTR1B (0.40) ADRA2AADRA1AADRA1DADRA1BHTR1B

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-1660484-B1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
EP-1660484-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-31 EP disclosed
US-6979696-B2 Method for detecting a gram-negative bacterial autoinducer molecule ROCHE PALO ALTO LLC (US) 2005-12-27 US disclosed
WO-2004099189-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPH-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 WO disclosed
US-20040224973-A1 Substituted indoles as alpha-1 agonists ROCHE PALO ALTO LLC 2004-11-11 US 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-20040224973-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1D ADRA2A 5/4885ADRA1A 1/4885ADRA1D 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.