SCHEMBL5898442

SCHEMBL5898442

Clc1ccc2snnc2c1NC1=NCCN1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 12/20 0.60
ADRA2B P18089 10/20 0.60
ADRA2C P18825 10/20 0.60
ADRA1A P35348 5/20 0.60
LMNA P02545 4/20 0.60
NISCH Q9Y2I1 3/20 0.60
HRH2 P25021 2/20 0.60
ADRA1D P25100 4/20 0.57
ADRA1B P35368 4/20 0.57
CYP2D6 P10635 3/20 0.57
HIF1A Q16665 2/20 0.57
MEN1 O00255 1/20 0.57
SLC22A1 O15245 1/20 0.57
SLC22A3 O75751 1/20 0.57
HTR1A P08908 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
OPRK1 P41145 1/20 0.57
KMT2A Q03164 1/20 0.57
SLC47A1 Q96FL8 1/20 0.57

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
SCHEMBL6054567 0.80 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL6964252 0.76 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL11178090 0.76 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1ALMNA
Tizanidine SCHEMBL60334 0.75 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ALMNA
Tizanidine SCHEMBL20769844 0.75 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL11197434 0.75 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL11193123 0.75 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1ALMNA
Tizanidine SCHEMBL6472652 0.74 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ALMNA
Tizanidine SCHEMBL41199 0.74 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ALMNA
Clonidine SCHEMBL5983 0.74 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ALMNA

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-7019021-B2 Compounds and methods for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-28 US disclosed
US-6858594-B2 Compounds and methods for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA GMBH & CO KG. (DE) 2005-02-22 US disclosed
US-20040198796-A1 Compounds and methods for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-07 US disclosed
US-20030114425-A1 Compounds and methods for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-06-19 US disclosed
EP-1285653-A1 Use of alpha-1L agonists in the treatment of incontinence Boehringer Ingelheim Pharma KG (DE) 2003-02-26 EP disclosed
US-6268389-B1 Treatment of urinary incontinence by administration of α1L-adrenoceptor agonists BOEHRINGER INGELHEIM KG (DE) 2001-07-31 US disclosed
EP-0821585-A1 USE OF $g(a) 1L? AGONISTS IN THE TREATMENT OF INCONTINENCE BOEHRINGER INGELHEIM KG (DE) 1998-02-04 EP disclosed
WO-1996032939-A1 USE OF α1L AGONISTS IN THE TREATMENT OF INCONTINENCE BOEHRINGER INGELHEIM KG (DE) 1996-10-24 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-20030114425-A1 Compounds and methods for treating urinary incontinence PDE3A, PDE3B, PDE2A ADRA2A 16/4885ADRA2B 14/4885ADRA2C 12/4885
US-20040198796-A1 Compounds and methods for treating urinary incontinence REN, ARG1, RXFP1 ADRA2A 115/4885ADRA2B 99/4885ADRA2C 59/4885

“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.