SCHEMBL3179802

SCHEMBL3179802

O=C(C(=O)c1ccc(Cl)c(F)c1)c1ccc(Cl)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.64
CES1 P23141 8/20 0.64
KCNQ3 O43525 2/20 0.51
KCNQ2 O43526 2/20 0.51
KCNE1 P15382 2/20 0.51
KCNQ1 P51787 2/20 0.51
KCNQ5 Q9NR82 1/20 0.51
TSHR P16473 1/20 0.45
MAOB P27338 4/20 0.42
S1PR3 Q99500 2/20 0.41
S1PR1 P21453 1/20 0.41
KMO O15229 1/20 0.40
SRD5A2 P31213 1/20 0.39

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
SCHEMBL8055116 0.94 CES2 (0.57) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL27561994 0.86 SRD5A2 (0.53) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL479072 0.84 TSHR (0.65) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL3026551 0.84 KCNQ3 (0.51) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL991621 0.83 KCNQ3 (0.49) CES2CES1KCNQ3KCNQ2KCNE1
Hydrochloric Acid SCHEMBL9190175 0.83 TSHR (0.63) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL1719358 0.83 KCNQ3 (0.49) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL31163926 0.83 KCNQ3 (0.49) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL2088683 0.83 KCNQ3 (0.49) CES2CES1KCNQ3KCNQ2KCNE1
Hydrochloric Acid SCHEMBL31439010 0.83 TSHR (0.63) CES2CES1KCNQ3KCNQ2KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328524-B1 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2012-12-12 EP disclosed
US-7652138-B2 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-26 US disclosed
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
US-6852728-B2 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-08 US disclosed
EP-1328524-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-23 EP disclosed
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-29 US disclosed
WO-2002032898-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 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-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them CHRM1, CHRM3, CHRM2 CES2 337/4885CES1 383/4885KCNQ3 202/4885
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them CHRM1, CHRM3, CHRM2 CES2 470/4885CES1 568/4885KCNQ3 192/4885

“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.