SCHEMBL5157775

SCHEMBL5157775

Fc1cccc(C(F)(F)F)c1N=C1NCCN1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2C P28335 5/20 0.33
EPHX2 P34913 1/20 0.33
TRPA1 O75762 1/20 0.31
NCF1 P14598 1/20 0.31
HTR2B P41595 3/20 0.31
HTR2A P28223 2/20 0.31
HSD11B1 P28845 2/20 0.31
AXL P30530 1/20 0.30
KIF11 P52732 1/20 0.30
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL11613094 0.98 TAAR1 (0.35) TAAR1CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL11610028 0.90 TAAR1 (0.39) TAAR1CHRNB2CHRNA4HTR2CEPHX2
Hydrochloric Acid SCHEMBL11608370 0.88 TAAR1 (0.38) TAAR1CHRNB2CHRNA4HTR2CEPHX2
SCHEMBL10864329 0.82 TAAR1 (0.35) TAAR1CHRNB2CHRNA4HTR2CEPHX2
Romifidine SCHEMBL5898394 0.76 PARP10 (0.31)
Romifidine SCHEMBL9623631 0.75 PARP10 (0.30)
SCHEMBL10878909 0.71
SCHEMBL14256871 0.71 PTGS2 (0.38) TRPA1HSD11B1SMN1; SMN2
SCHEMBL10880614 0.69 GLA (0.37)
SCHEMBL11088921 0.67 LRRK2 (0.41) HSD11B1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4125620-A HYPOTENSIVE BOEHRINGER INGELHEIM GMBH (DE) 1978-11-14 US claimed
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-0202461-A1 Substituted derivatives of 2-(N-alkenyl-N-phenyl-amino) imidazoline, their acid addition salts, medicaments containing them and process for their preparation BOEHRINGER INGELHEIM KG (DE) 1986-11-26 EP disclosed
US-4478844-A Bradycardiac or analgesic 2-(N-(thienyl-2-methyl)-N-(2-fluoro-6-methyl-phenyl)-amino)-2-imidazoline and salts thereof BOEHRINGER INGELHEIM KG (DE) 1984-10-23 US disclosed
EP-0031429-A1 2-(N-(2-Fluoro-6-bromophenyl)-N-(thiemyl-2-methyl)-amino)-2-imidazoline, its addition salts, pharmaceutical compositions containing them and processes for their preparation C.H. BOEHRINGER SOHN (DE) 1981-07-08 EP disclosed
US-4100292-A ANALGESIC BOEHRINGER INGELHEIM GMBH (DE) 1978-07-11 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 (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 TAAR1 232/4885CHRNB2 153/4885CHRNA4 178/4885
US-20040198796-A1 Compounds and methods for treating urinary incontinence REN, ARG1, RXFP1 TAAR1 1280/4885CHRNB2 1637/4885CHRNA4 1839/4885

“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.