SCHEMBL3475643

SCHEMBL3475643

CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C(c1ccccc1)N1CCC(N(C)CC2CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.58
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
TACR3 P29371 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL6836750 1.00 TACR1 (0.58) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL3475829 0.89 TACR1 (0.57) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL6836873 0.89 TACR1 (0.57) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL3473472 0.88 TACR1 (0.53) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL3473136 0.88 TACR1 (0.53) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL5457820 0.87 TACR1 (0.70) TACR1SCN5ASCN9ATACR3
Figopitant SCHEMBL21955647 0.86 TACR1 (0.59) TACR1SCN5ASCN9ATACR3
Figopitant SCHEMBL226054 0.86 TACR1 (0.59) TACR1SCN5ASCN9ATACR3
SCHEMBL7009113 0.85 TACR1 (0.57) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL7075456 0.85 TACR1 (0.57) TACR1UBE2MDCUN1D1SCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040151770-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-08-05 US claimed
US-20040048886-A1 Pharmaceutical compositions based on new anticholinergics and NK1 receptor antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US claimed
US-6696042-B2 INHALATION AEROSOL COMPRISING TIOTROPIUM SALT AND PROPELLANT GAS; RESPIRATORY SYSTEM DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-02-24 US claimed
US-20030212075-A1 PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND NK1-RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-11-13 US claimed
US-6620438-B2 Arylglycinamide derivatives BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-16 US claimed
US-20020169181-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-11-14 US claimed
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG. (DE) 2010-12-09 US disclosed
US-7776315-B2 Pharmaceutical compositions based on anticholinergics and additional active ingredients BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-08-17 US disclosed
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US disclosed
EP-1784224-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2007-05-16 EP disclosed
WO-2006015775-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 WO disclosed
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 US disclosed
US-20030212075-A1 PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND NK1-RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-11-13 US disclosed
US-6620438-B2 Arylglycinamide derivatives BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-16 US disclosed
EP-1328516-A1 NOVEL NEUROKININ ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS Boehringer Ingelheim Pharma KG (DE) 2003-07-23 EP disclosed
US-20020169181-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-11-14 US disclosed
US-20020147219-A1 Neurokinin antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-10 US disclosed
WO-2002069944-A2 NOVEL MEDICAMENT COMPOSITIONS BASED ON ANTICHOLINERGICS AND ON NK1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-12 WO disclosed
WO-2002032865-A1 NOVEL NEUROKININ ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS 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 (8 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-20040151770-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists TACR2, CHRM3, TACR1 TACR1 3/4885UBE2M 3684/4885DCUN1D1 2015/4885
US-20020147219-A1 Neurokinin antagonists TACR2, TACR1, TAC3 TACR1 2/4885UBE2M 4412/4885DCUN1D1 1570/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 TACR1 125/4885UBE2M 4482/4885DCUN1D1 4730/4885
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients PDE4B, CHRM3, ADRA2C TACR1 62/4885UBE2M 3570/4885DCUN1D1 3309/4885
US-20040048886-A1 Pharmaceutical compositions based on new anticholinergics and NK1 receptor antagonists CHRM3, CHRNA1, CHRNB1 TACR1 5/4885UBE2M 3794/4885DCUN1D1 1927/4885
US-20020169181-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists TACR2, CHRM3, TACR1 TACR1 3/4885UBE2M 3684/4885DCUN1D1 2015/4885
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 TACR1 125/4885UBE2M 4482/4885DCUN1D1 4730/4885
US-20030212075-A1 PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND NK1-RECEPTOR ANTAGONISTS TACR2, CHRM3, TACR1 TACR1 3/4885UBE2M 3684/4885DCUN1D1 2015/4885

“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.