SCHEMBL4987405

SCHEMBL4987405

CS(=O)(=O)Nc1ccc(CC2=NCCN2)c2ccoc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 13/20 0.41
ADRA2A P08913 9/20 0.41
ADRA2C P18825 9/20 0.41
TAAR1 Q96RJ0 3/20 0.41
MAPK1 P28482 2/20 0.41
ADRA2B P18089 2/20 0.41
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
OPRM1 P35372 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
ADRA1D P25100 10/20 0.39
ADRA1B P35368 10/20 0.39
RAD52 P43351 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
SCHEMBL4986530 0.76 ADRA1A (0.50) ADRA1AADRA2AADRA2CTAAR1ADRA2B
SCHEMBL2561416 0.76 HTR1D (0.50) ADRA1AADRA2AADRA2CTAAR1ADRA2B
SCHEMBL4992395 0.76 HTR1D (0.50) ADRA1AADRA2AADRA2CTAAR1ADRA2B
SCHEMBL13752307 0.76 HTR1D (0.50) ADRA1AADRA2AADRA2CTAAR1MAPK1
SCHEMBL4983426 0.76 ADRA1A (0.45) ADRA1AADRA2AADRA2CTAAR1ADRA2B
SCHEMBL14092049 0.75 HTR1D (0.49) ADRA1AADRA2AADRA2CTAAR1ADRA2B
Hydrochloric Acid SCHEMBL3726850 0.75 HTR1D (0.49) ADRA1AADRA2AADRA2CTAAR1MAPK1
SCHEMBL12304316 0.75 HTR1D (0.41) ADRA1AADRA2AADRA2CTAAR1MAPK1
SCHEMBL2387364 0.75 ADRA1A (0.45) ADRA1AADRA2AADRA2CTAAR1ADRA2B
SCHEMBL4993116 0.75 HTR1D (0.39) ADRA1AADRA2AADRA2CTAAR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 US disclosed
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 US disclosed
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 US disclosed
EP-1501817-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
US-20040214875-A1 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC 2004-10-28 US disclosed
US-6756395-B2 CYCLIZATION OF N-(4-CYANOMETHYLPHENYL)METHANESULFONAMIDES WITH ETHYLENEDIAMINE TO FORM N-(4-IMIDAZOL-2-YLMETHYL)-PHENYL) -METHANESULFONAMIDES; INCONTINENCE, SEXUAL DYSFUNCTION, NASAL CONGESTION, AND CNS DISORDERS; ALPHA 1 ADRENERGIC AGONISTS ROCHE PALO ALTO LLC 2004-06-29 US disclosed
US-20030229130-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES ROCHE PALO ALTO LLC. 2003-12-11 US disclosed
WO-2003091236-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-06 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 (2 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-20040214875-A1 Imidazolinylmethyl aralkylsulfonamides RPS6KA1, RPS6KB1, RPS6KA6 ADRA1A 2525/4885ADRA2A 3909/4885ADRA2C 3707/4885
US-20030229130-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES RPS6KA1, RPS6KB1, RPS6KA6 ADRA1A 2525/4885ADRA2A 3909/4885ADRA2C 3707/4885

“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.