SCHEMBL4718952

SCHEMBL4718952

CCS(=O)(=O)n1cc(CC2=NCCN2)c2c(Cl)cccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.48
ADRA2A P08913 4/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
HTR1D P28221 1/20 0.40
HTR6 P50406 3/20 0.38

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
SCHEMBL6321120 0.93 TAAR1 (0.45) TAAR1ADRA2AADRA2BADRA2CMAPK1
SCHEMBL4717912 0.90 TAAR1 (0.49) TAAR1ADRA2AADRA2BADRA2CMAPK1
SCHEMBL6321115 0.87 TAAR1 (0.46) TAAR1ADRA2AADRA2BADRA2CMAPK1
SCHEMBL4721369 0.78 TAAR1 (0.45) TAAR1ADRA2AADRA2BADRA2CMAPK1
SCHEMBL4717265 0.78 TAAR1 (0.50) TAAR1ADRA2AADRA2BADRA2CMAPK1
SCHEMBL4722227 0.77 TAAR1 (0.47) TAAR1ADRA2AADRA2BADRA2CMAPK1
SCHEMBL4720980 0.77 TAAR1 (0.47) TAAR1ADRA2AADRA2BADRA2CMAPK1
SCHEMBL4717699 0.77 ADRA2C (0.46) TAAR1ADRA2AADRA2BADRA2CMAPK1
SCHEMBL4717899 0.77 TAAR1 (0.49) TAAR1ADRA2AADRA2BADRA2CMAPK1
SCHEMBL28758566 0.77 TAAR1 (0.46) TAAR1ADRA2AADRA2BADRA2CMAPK1

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
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
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 TAAR1 39/4885ADRA2A 5/4885ADRA2B 10/4885

“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.