SCHEMBL3473472

SCHEMBL3473472

CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H](c1ccccc1)N1CCC(N(CCCO)CC2CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.53
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
TACR3 P29371 1/20 0.37
CCR2 P41597 2/20 0.37

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
SCHEMBL3473136 1.00 TACR1 (0.53) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL7007590 0.93 TACR1 (0.56) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL3472665 0.93 TACR1 (0.56) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL3475829 0.89 TACR1 (0.57) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL6836873 0.89 TACR1 (0.57) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL3475643 0.88 TACR1 (0.58) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL6836750 0.88 TACR1 (0.58) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL7009113 0.88 TACR1 (0.57) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL7075456 0.88 TACR1 (0.57) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL19440987 0.85 TACR1 (0.50) TACR1SCN5ASCN9ACCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050148562-A1 Pharmaceutical compositions based on anticholinergics and additional active ingredients BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-07 US disclosed
US-20040151770-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-08-05 US disclosed
US-6747044-B2 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; ANTIULCER AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-06-08 US disclosed
US-6696042-B2 INHALATION AEROSOL COMPRISING TIOTROPIUM SALT AND PROPELLANT GAS; RESPIRATORY SYSTEM DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-02-24 US disclosed
EP-1370293-A2 NOVEL MEDICAMENT COMPOSITIONS BASED ON ANTICHOLINERGICS AND ON NK1 RECEPTOR ANTAGONISTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2003-12-17 EP 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-20030100565-A1 Method for the treatment or prevention of atopic dermatitis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-05-29 US disclosed
WO-2003026658-A1 METHOD FOR THE TREATMENT OR PREVENTION OF ATOPIC DERMATITIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-04-03 WO disclosed
EP-1295599-A1 Method for the treatment of prevention of atopic dermatitis Boehringer Ingelheim International GmbH (DE) 2003-03-26 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 (7 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-20050148562-A1 Pharmaceutical compositions based on anticholinergics and additional active ingredients CHRM3, ADRA2C, PDE3A TACR1 85/4885UBE2M 3586/4885DCUN1D1 2865/4885
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-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients PDE4B, CHRM3, ADRA2C TACR1 62/4885UBE2M 3570/4885DCUN1D1 3309/4885
US-20020169181-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists TACR2, CHRM3, TACR1 TACR1 3/4885UBE2M 3684/4885DCUN1D1 2015/4885
US-20030100565-A1 Method for the treatment or prevention of atopic dermatitis TACR1, BDKRB1, CPA3 TACR1 1/4885UBE2M 4109/4885DCUN1D1 3211/4885
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.