SCHEMBL4777698

SCHEMBL4777698

CCOc1ccccc1OCC(=O)NC(C)Cc1ccc(OC)c(S(N)(=O)=O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 6/20 0.69
▸ ADRA1A P35348 6/20 0.69
▸ ADRA1B P35368 6/20 0.69
▸ ADRB2 P07550 1/20 0.69
▸ ADRB1 P08588 1/20 0.69
▸ HTR1A P08908 1/20 0.69
▸ ADRA2A P08913 1/20 0.69
▸ DRD2 P14416 1/20 0.69
▸ ADRA2B P18089 1/20 0.69
▸ ADRA2C P18825 1/20 0.69
▸ HTR2A P28223 1/20 0.69
▸ HTR7 P34969 1/20 0.69
▸ OPRM1 P35372 1/20 0.69
▸ DRD3 P35462 1/20 0.69
▸ HTR2B P41595 1/20 0.69
▸ KCNH2 Q12809 1/20 0.69
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ ACACB O00763 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ HTT P42858 2/20 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
SCHEMBL4777691 1.00 ADRA1D (0.69) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL12323178 0.91 ADRA1D (0.57) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL14533980 0.87 ADRA1D (0.58) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL10341260 0.86 ADRA1D (0.52) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL10341259 0.86 ADRA1D (0.52) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL4362747 0.85 ADRA1D (0.56) ADRA1DADRA1AADRA1BADRB2ADRB1
Tamsulosin SCHEMBL34378 0.82 ADRA1A (1.00) ADRA1DADRA1AADRA1BADRB2ADRB1
Tamsulosin SCHEMBL30361066 0.82 ADRA1A (1.00) ADRA1DADRA1AADRA1BADRB2ADRB1
Tamsulosin SCHEMBL29363851 0.82 ADRA1A (1.00) ADRA1DADRA1AADRA1BADRB2ADRB1
Tamsulosin SCHEMBL53998 0.82 ADRA1A (1.00) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329780-B2 Method of preparing optically pure phenethylamine derivatives CJ CORPORATION (KR) 2008-02-12 — — US claimed
US-20070197828-A1 Method of preparing optically pure phenethylamine derivatives CJ CORPORATION (KR) 2007-08-23 — — US claimed
WO-2007086074-A3 A PROCESS FOR THE PREPARATION OF R (-) TAMSULOSIN HYDROCHLORIDE USV LTD (IN) 2008-05-02 — — WO disclosed
US-7329780-B2 Method of preparing optically pure phenethylamine derivatives CJ CORPORATION (KR) 2008-02-12 — — US disclosed
EP-1692100-A4 METHOD OF PREPARING OPTICALLY PURE PHENETHYLAMINE DERIVATIVES CJ CORP (KR) 2007-11-21 — — EP disclosed
US-20070197828-A1 Method of preparing optically pure phenethylamine derivatives CJ CORPORATION (KR) 2007-08-23 — — US disclosed
WO-2007086074-A2 A PROCESS FOR THE PREPARATION OF R (-) TAMSULOSIN HYDROCHLORIDE USV LIMITED (IN) 2007-08-02 — — WO disclosed
WO-2007086074-A2 A PROCESS FOR THE PREPARATION OF R (-) TAMSULOSIN HYDROCHLORIDE USV LIMITED (IN) 2007-08-02 — — WO disclosed
EP-1363878-B1 PROCESS FOR PREPARING SULFAMOYL-SUBSTITUTED PHENETHYLAMINE DERIVATIVES YONSUNG FINE CHEMICAL CO LTD (KR) 2007-01-17 — — EP disclosed
EP-1692100-A1 METHOD OF PREPARING OPTICALLY PURE PHENETHYLAMINE DERIVATIVES CJ Corporation (KR) 2006-08-23 — — EP disclosed
US-20060148046-A1 Enzymatic process for the preparation of an intermediate compound and use thereof for the synthesis of tamsulosin hydrochloride QUIMICA SINTETICA, S.A. 2006-07-06 — — US disclosed
EP-1363878-A4 PROCESS FOR PREPARING SULFAMOYL-SUBSTITUTED PHENETHYLAMINE DERIVATIVES YONSUNG FINE CHEMICAL CO LTD (KR) 2005-12-21 — — EP disclosed
US-6914159-B1 Which have excellent therapeutic effects against hypertension, congestive heart failure, angina pectoris or prostatic hypertrophy higher yield; isolation step i.e. chromatography is not needed YONSUNG FINE CHEMICAL CO., LTD. (KR) 2005-07-05 — — US disclosed
WO-2005056521-A1 METHOD OF PREPARING OPTICALLY PURE PHENETHYLAMINE DERIVATIVES CJ CORPORATION (KR) 2005-06-23 — — WO disclosed
EP-1363878-A1 PROCESS FOR PREPARING SULFAMOYL-SUBSTITUTED PHENETHYLAMINE DERIVATIVES Yonsung Fine Chemical Co. Ltd (KR) 2003-11-26 — — EP disclosed
WO-2002068382-A1 PROCESS FOR PREPARING SULFAMOYL-SUBSTITUTED PHENETHYLAMINE DERIVATIVES YONSUNG FINE CHEMICAL CO. LTD. (KR) 2002-09-06 — — 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 (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-20070197828-A1 Method of preparing optically pure phenethylamine derivatives KMT2A, PNMT, PTMA ADRA1D 92/4885ADRA1A 5/4885ADRA1B 57/4885

“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.

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