SCHEMBL4717699

SCHEMBL4717699

CS(=O)(=O)n1cc(CC2=NCCN2)c2c(F)cccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 5/20 0.46
ADRA1A P35348 5/20 0.46
ADRA1D P25100 4/20 0.46
ADRA1B P35368 4/20 0.46
ADRA2A P08913 4/20 0.46
TAAR1 Q96RJ0 8/20 0.44
ADRA2B P18089 3/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 2/20 0.41
HTR1A P08908 1/20 0.41
MAPT P10636 1/20 0.41
OPRM1 P35372 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
HTR1D P28221 1/20 0.40
CYP1A2 P05177 1/20 0.37
TSHR P16473 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
SCHEMBL4721369 0.88 TAAR1 (0.45) ADRA2CADRA1AADRA1DADRA1BADRA2A
SCHEMBL4717265 0.88 TAAR1 (0.50) ADRA2CADRA1AADRA1DADRA1BADRA2A
SCHEMBL4717912 0.87 TAAR1 (0.49) ADRA2CADRA1AADRA2ATAAR1ADRA2B
SCHEMBL4719690 0.85 HTR6 (0.44) ADRA2CADRA1AADRA2ATAAR1ADRA2B
SCHEMBL4717745 0.85 ADRA1A (0.38) ADRA2CADRA1AADRA1DADRA1BADRA2A
SCHEMBL4717753 0.81 HTR6 (0.53) ADRA2CADRA1AADRA1DADRA1BADRA2A
SCHEMBL4720067 0.81 TAAR1 (0.40) ADRA2CADRA1AADRA1DADRA1BADRA2A
SCHEMBL4717081 0.78 ADRA2A (0.46) ADRA2CADRA1AADRA1DADRA1BADRA2A
SCHEMBL4717682 0.78 ADRA1A (0.46) ADRA2CADRA1AADRA1DADRA1BADRA2A
SCHEMBL6319750 0.78 HTR1B (0.40) ADRA2CADRA1AADRA1DADRA1BADRA2A

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 12 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 claimed
CN-100378097-C Methyl indoles and methyl pyrrolopyridines as alph-1 adrenergic agonists HOFFMANN LA ROCHE (CH) 2008-04-02 CN claimed
CN-1784397-A Methyl indoles and methyl pyrrolopyridines as alph-1 adrenergic agonists HOFFMANN LA ROCHE (CH) 2006-06-07 CN claimed
EP-1660484-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-31 EP claimed
WO-2004099189-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPH-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 WO claimed
US-20040224973-A1 Substituted indoles as alpha-1 agonists ROCHE PALO ALTO LLC 2004-11-11 US claimed
EP-1660484-B1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
CN-100378097-C Methyl indoles and methyl pyrrolopyridines as alph-1 adrenergic agonists HOFFMANN LA ROCHE (CH) 2008-04-02 CN disclosed
CN-1784397-A Methyl indoles and methyl pyrrolopyridines as alph-1 adrenergic agonists HOFFMANN LA ROCHE (CH) 2006-06-07 CN 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

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 ADRA2C 9/4885ADRA1A 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.