SCHEMBL5154555

SCHEMBL5154555

CCc1cccc(CC)c1N=C1NCCN1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
TAAR1 Q96RJ0 2/20 0.40
HTR1A P08908 3/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
DRD3 P35462 2/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
NISCH Q9Y2I1 1/20 0.33
PDK2 Q15119 1/20 0.33
DAO P14920 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL11610052 0.90 GABRA1 (0.41) GABRA1GABRB2TAAR1HTR1ADRD2
SCHEMBL8625068 0.79 TAAR1 (0.43) GABRA1GABRB2TAAR1HTR1ADRD2
SCHEMBL8626163 0.79 TAAR1 (0.36) GABRA1GABRB2TAAR1HTR1ADRD2
SCHEMBL9616491 0.78 NOS3 (0.31)
SCHEMBL10883141 0.78 PTPN1 (0.31)
Hydrochloric Acid SCHEMBL10879822 0.77 NOS3 (0.30)
Clonidine SCHEMBL18050244 0.77 MAPT (0.34) TAAR1HTR1AHTR2CALDH1A1
Hydrochloric Acid SCHEMBL10814689 0.75
SCHEMBL8622574 0.74 GRIA1 (0.34) HTR2CALDH1A1LMNA
SCHEMBL14547336 0.74 PNMT (0.32) TAAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821585-B1 USE OF ALPHA 1L-AGONISTS IN THE TREATMENT OF URINARY INCONTINENCE BOEHRINGER INGELHEIM PHARMA (DE) 2007-01-10 EP disclosed
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
EP-0326936-A2 Use of 2-(phenyl-amino)-2-imidazolines in the application of shock therapy BOEHRINGER INGELHEIM KG (DE) 1989-08-09 EP disclosed
US-4678775-A P-OCTOPAMINE AGONIST, STIMULATOR OF ADENYLATE CYCLASE, ANALOG OF CYCLIC ADENOSINE MONOPHOSPHATE GENERAL HOSPITAL CORPORATION THE 1987-07-07 US disclosed
EP-0081923-B1 2-(TRISUBSTITUTED PHENYLIMINO)-IMIDAZOLINES ALCON LABORATORIES, INC. (US) 1987-01-21 EP disclosed
EP-0179881-A1 PEST CONTROLLING AGENTS THE GENERAL HOSPITAL CORPORATION (US) 1986-05-07 EP disclosed
EP-0081924-B1 TOPICAL COMPOSTIONS FOR LOWERING INTRAOCULAR PRESSURE ALCON LABORATORIES, INC. (US) 1986-02-19 EP disclosed
WO-1985005038-A1 PEST CONTROLLING AGENTS THE GENERAL HOSPITAL CORPORATION (US) 1985-11-21 WO disclosed
US-4517199-A TREATMENT OF GLAUCOMA ALCON LABORATORIES, INC. (US) 1985-05-14 US disclosed
US-4515800-A GLAUCOMA ALCON MANUFACTURING, LTD. 1985-05-07 US disclosed
US-4461904-A 2-(Trisubstituted phenylimino)-imidazolines ALCON LABORATORIES, INC. (US) 1984-07-24 US disclosed
EP-0081924-A1 Topical compostions for lowering intraocular pressure ALCON LABORATORIES, INC. (US) 1983-06-22 EP disclosed
EP-0081923-A2 2-(Trisubstituted phenylimino)-imidazolines ALCON LABORATORIES, INC. (US) 1983-06-22 EP 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 GABRA1 505/4885GABRB2 336/4885TAAR1 232/4885
US-20040198796-A1 Compounds and methods for treating urinary incontinence REN, ARG1, RXFP1 GABRA1 2016/4885GABRB2 761/4885TAAR1 1280/4885

“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.