SCHEMBL3948856

SCHEMBL3948856

COc1ccc(C[C@H](C)N)cc1S(N)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.55
ADRA1A P35348 6/20 0.55
ADRA1B P35368 6/20 0.55
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
DRD2 P14416 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
HTR2A P28223 1/20 0.55
HTR7 P34969 1/20 0.55
OPRM1 P35372 1/20 0.55
DRD3 P35462 1/20 0.55
HTR2B P41595 1/20 0.55
KCNH2 Q12809 1/20 0.55
PKM P14618 1/20 0.50
TAAR1 Q96RJ0 2/20 0.47
SLC6A4 P31645 1/20 0.47
ALOX15 P16050 1/20 0.46

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
SCHEMBL1412238 1.00 ADRA1D (0.55) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL13880696 1.00 ADRA1D (0.55) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL1412240 1.00 ADRA1D (0.55) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL29519545 1.00 ADRA1D (0.55) ADRA1DADRA1AADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL3939257 0.98 ADRA1D (0.54) ADRA1DADRA1AADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL6684814 0.98 ADRA1D (0.54) ADRA1DADRA1AADRA1BADRB2ADRB1
Cadaverine Tartrate SCHEMBL3952300 0.90 PKM (0.51) ADRA1DADRA1AADRA1BADRB2ADRB1
Cadaverine Tartrate SCHEMBL3944116 0.90 PKM (0.51) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL14368066 0.89 ADRA1D (0.56) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL2429236 0.87 CASR (0.50) HTR2ATAAR1SLC6A4ALOX15ALOX12

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603866-B1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD (IN) 2009-04-29 EP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20080033208-A1 Process for Manufacturing Optically Pure (R) or (S)-5-(2-Aminopropyl)-2-Methoxybenzene Sulfonamide CADILA HEALTHCARE LIMITED (IN) 2008-02-07 US claimed
EP-1720830-A1 PROCESS FOR MANUFACTURING OPTICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENE SULFONAMIDE CADILA HEALTHCARE LTD. (IN) 2006-11-15 EP claimed
US-20060173214-A1 Process for the preparation of enantiomerically pure (r) or (s)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide CADILA HEALTHCARE LIMITED (IN) 2006-08-03 US claimed
EP-1603866-A1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD. (IN) 2005-12-14 EP claimed
WO-2005080323-A1 PROCESS FOR MANUFACTURING OPTICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENE SULFONAMIDE CADILA HEALTHCARE LIMITED (IN) 2005-09-01 WO claimed
WO-2004058694-A1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LIMITED (IN) 2004-07-15 WO claimed
US-4761500-A CONGESTIVE HEART FAILURE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-08-02 US claimed
WO-2012101648-A1 NOVEL PROCESS FOR THE SYNTHESIS OF ENANTIOMERICALLY PURE 2-METHOXY-5-[(2R)-2-(4-ALKYLPIPERAZIN-L-YL)PROPYL]-BENZENESULFONAMIDE HAVALDAR FREDDY H 2012-08-02 WO disclosed
EP-1603866-B1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD (IN) 2009-04-29 EP disclosed
EP-1603866-B1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD (IN) 2009-04-29 EP disclosed
EP-1603866-B1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD (IN) 2009-04-29 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-5391825-A ADRENERGIC BLOCKING AGENTS; CARDIOVASCULAR DISORDERS; UREGENITAL DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-02-21 US disclosed
EP-0331943-B1 PHENOXYETHYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR EXHIBITING EXCELLENT ALPHA-1-BLOCKING ACTIVITY CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1992-06-17 EP disclosed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
EP-0331943-A1 Phenoxyethylamine derivatives, process for preparing the same, and composition for exhibiting excellent alpha-1-blocking activity containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-09-13 EP disclosed
US-4761500-A CONGESTIVE HEART FAILURE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-08-02 US disclosed
US-4731478-A ADRENERGIC BLOCKING AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-03-15 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 (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-20080033208-A1 Process for Manufacturing Optically Pure (R) or (S)-5-(2-Aminopropyl)-2-Methoxybenzene Sulfonamide SRR, SRMS, AASDHPPT ADRA1D 1822/4885ADRA1A 1878/4885ADRA1B 795/4885
US-20060173214-A1 Process for the preparation of enantiomerically pure (r) or (s)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide SRMS, SPR, SRR ADRA1D 1701/4885ADRA1A 2452/4885ADRA1B 1909/4885

“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.