SCHEMBL5885698

SCHEMBL5885698

COc1ccc(C[C@@H](C)N[C@H](C)c2ccccc2)cc1S(N)(=O)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.59
ADRA1A P35348 6/20 0.59
ADRA1B P35368 6/20 0.59
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
DRD2 P14416 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
HTR2A P28223 1/20 0.59
HTR7 P34969 1/20 0.59
OPRM1 P35372 1/20 0.59
DRD3 P35462 1/20 0.59
HTR2B P41595 1/20 0.59
KCNH2 Q12809 1/20 0.59
SIGMAR1 Q99720 1/20 0.51
HTT P42858 1/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL30063021 1.00 ADRA1D (0.59) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL13984210 1.00 ADRA1D (0.59) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL28441227 1.00 ADRA1D (0.59) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL5885695 1.00 ADRA1D (0.59) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL28441225 1.00 ADRA1D (0.59) ADRA1DADRA1AADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL28440129 0.99 ADRA1D (0.58) ADRA1DADRA1AADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL9416386 0.99 ADRA1D (0.58) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL2423873 0.88 SIGMAR1 (0.51) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL2429677 0.88 SIGMAR1 (0.51) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL2423875 0.88 SIGMAR1 (0.51) ADRA1DADRA1AADRA1BADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170900-B Preparation method of tamsulosin impurity with high optical purity 珠海润都制药股份有限公司 2022-12-13 CN disclosed
CN-111170900-A Preparation method of tamsulosin impurity with high optical purity 珠海润都制药股份有限公司 2020-05-19 CN disclosed
EP-1996544-B1 A METHOD OF PREPARATION OF (R)-(-)-5(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE ZENTIVA KS (CZ) 2010-11-10 EP disclosed
US-7638649-B2 Method of preparation of (R)-(−)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide ZENTIVA, K.S. (CZ) 2009-12-29 US disclosed
US-7638649-B2 Method of preparation of (R)-(−)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide ZENTIVA, K.S. (CZ) 2009-12-29 US disclosed
US-20080319225-A1 Method of Preparation of (R)-(-)-5(2-Aminopropyl)-2-Methoxybenzenesulfonamide ZENTIVA, A.S. (CZ) 2008-12-25 US disclosed
US-20080319225-A1 Method of Preparation of (R)-(-)-5(2-Aminopropyl)-2-Methoxybenzenesulfonamide ZENTIVA, A.S. (CZ) 2008-12-25 US disclosed
US-20080312328-A1 DEUTERIUM-ENRICHED TAMSULOSIN PROTIA, LLC (US) 2008-12-18 US disclosed
WO-2007104357-A1 SYNTHESIS OF AMINES WITH CATALYTIC AMOUNTS OF MILD LEWIS ACIDS JACOBS UNIVERSITY BREMEN GGMBH (DE) 2007-09-20 WO disclosed
WO-2007104359-A1 SYNTHESIS OF AMINES WITH YTTERBIUM LEWIS ACIDS JACOBS UNIVERSITY BREMEN GGMBH (DE) 2007-09-20 WO disclosed
US-7084301-B2 Tamsulosin derivative RANBAXY LABORATORIES LIMITED (IN) 2006-08-01 US disclosed
US-20050154231-A1 Tamsulosin derivative RANBAXY LABORATORIES LIMITED (IN) 2005-07-14 US disclosed
US-6894188-B1 Tamsulosin derivative RANBAXY LABORATORY LIMITED (IN) 2005-05-17 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 (3 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-20050154231-A1 Tamsulosin derivative ADRB1, ADRA1B, ADRA2B ADRA1D 5/4885ADRA1A 7/4885ADRA1B 2/4885
US-20080312328-A1 DEUTERIUM-ENRICHED TAMSULOSIN AVPR2, AVPR1B, AVPR1A ADRA1D 4/4885ADRA1A 9/4885ADRA1B 6/4885
US-20080319225-A1 Method of Preparation of (R)-(-)-5(2-Aminopropyl)-2-Methoxybenzenesulfonamide NPSR1, TPSAB1, TPSB2 ADRA1D 22/4885ADRA1A 45/4885ADRA1B 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.