SCHEMBL2551884

SCHEMBL2551884

CC(Cc1cc(C=O)c2c(c1)CCN2CCCOC(=O)c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 10/20 0.37
ADRA1A P35348 10/20 0.37
ADRA1B P35368 10/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
DRD3 P35462 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
PTGS1 P23219 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL16422047 0.87 ADRA1D (0.35) ADRA1DADRA1AADRA1BDRD3ADRB2
SCHEMBL2547252 0.86 ADRA1D (0.37) ADRA1DADRA1AADRA1BSCN1ASCN2A
SCHEMBL2548785 0.84 SCN1A (0.40) SCN1ASCN2ASCN3ADRD3HRH3
SCHEMBL526254 0.82 NOTUM (0.38) ADRA1DADRA1AADRA1BHRH3HTR1A
SCHEMBL18902664 0.82 ADRA1D (0.40) ADRA1DADRA1AADRA1BDRD3ADRB2
SCHEMBL17516018 0.81 ADRA1D (0.32) ADRA1DADRA1AADRA1B
SCHEMBL16166306 0.80 ADRA1D (0.31) ADRA1DADRA1AADRA1B
SCHEMBL16166538 0.80 ADRA1D (0.33) ADRA1DADRA1AADRA1BDRD3ADRB2
SCHEMBL2554973 0.80 ADRA1D (0.37) ADRA1DADRA1AADRA1BDRD3ADRB2
SCHEMBL16166283 0.78 ADRA1D (0.37) ADRA1DADRA1AADRA1BBCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012131710-A2 NOVEL PROCESS FOR THE SYNTHESIS OF INDOLINE DERIVATIVES PANACEA BIOTEC LTD (IN) 2012-10-04 WO claimed
US-9938239-B2 Method for preparing silodosin SANDOZ AG (CH) 2018-04-10 US disclosed
EP-2768806-B1 METHOD FOR PREPARING SILODOSIN SANDOZ AG (CH) 2017-05-31 EP disclosed
US-20160176818-A1 Method For Preparing Silodosin SANDOZ AG (CH) 2016-06-23 US disclosed
US-20150038727-A1 METHOD FOR PREPARING SILODOSIN SANDOZ AG (CH) 2015-02-05 US disclosed
WO-2015010594-A1 INDOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 中国科学院上海药物研究所 (CN) 2015-01-29 WO disclosed
WO-2014190942-A1 INDOLE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 (CN) 2014-12-04 WO disclosed
WO-2012147107-A2 NOVEL & IMPROVED PROCESSES FOR THE PREPARATION OF INDOLINE DERIVATIVES AND ITS PHARMACEUTICAL COMPOSITION MSN LABORATORIES LIMITED (IN) 2012-11-01 WO disclosed
WO-2012131710-A2 NOVEL PROCESS FOR THE SYNTHESIS OF INDOLINE DERIVATIVES PANACEA BIOTEC LTD (IN) 2012-10-04 WO disclosed
WO-2011124704-A1 PROCESS FOR PREPARING AN INTERMEDIATE FOR SILODOSIN RATIOPHARM GMBH (DE) 2011-10-13 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-20160176818-A1 Method For Preparing Silodosin RCC2, RIOX2, CYP51A1 ADRA1D 607/4885ADRA1A 1021/4885ADRA1B 1304/4885
US-20150038727-A1 METHOD FOR PREPARING SILODOSIN RCC2, RIOX2, CYP51A1 ADRA1D 607/4885ADRA1A 1021/4885ADRA1B 1304/4885

“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.