SCHEMBL3471796

SCHEMBL3471796

OCC(CO)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.59
BACE1 P56817 5/20 0.59
BCHE P06276 4/20 0.59
SIGMAR1 Q99720 3/20 0.57
DPP7 Q9UHL4 3/20 0.56
DRD4 P21917 3/20 0.54
KMT2A Q03164 3/20 0.53
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
CXCR4 P61073 1/20 0.52
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL278631 0.81 ACHE (0.62) ACHEBACE1BCHESIGMAR1DPP7
Hydrochloric Acid SCHEMBL9785794 0.80 ACHE (0.60) ACHEBACE1BCHESIGMAR1DPP7
SCHEMBL6503006 0.80 CCR8 (0.62) ALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL9785708 0.79 ACHE (0.59) ACHEBACE1BCHESIGMAR1DPP7
SCHEMBL5271846 0.78 GAA (0.59) ACHEBACE1BCHESIGMAR1KMT2A
SCHEMBL5094770 0.78 ACHE (0.57) ACHEBACE1BCHESIGMAR1DPP7
SCHEMBL9730843 0.77 ACHE (0.54) ACHEBACE1BCHESIGMAR1DPP7
SCHEMBL2840739 0.77 ACHE (0.70) ACHEBACE1BCHESIGMAR1DRD4
SCHEMBL4690024 0.77 ACHE (0.69) ACHEBACE1BCHESIGMAR1DPP7
SCHEMBL6749008 0.76 HTT (0.65) ACHEBACE1BCHESIGMAR1DPP7

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 ACHE 20/4885BACE1 1287/4885BCHE 147/4885
US-20040151770-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists TACR2, CHRM3, TACR1 ACHE 129/4885BACE1 1150/4885BCHE 221/4885
US-20020147219-A1 Neurokinin antagonists TACR2, TACR1, TAC3 ACHE 1524/4885BACE1 1597/4885BCHE 1492/4885
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients PDE4B, CHRM3, ADRA2C ACHE 16/4885BACE1 2008/4885BCHE 249/4885
US-20020169181-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists TACR2, CHRM3, TACR1 ACHE 129/4885BACE1 1150/4885BCHE 221/4885
US-20030100565-A1 Method for the treatment or prevention of atopic dermatitis TACR1, BDKRB1, CPA3 ACHE 1527/4885BACE1 224/4885BCHE 1046/4885
US-20030212075-A1 PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND NK1-RECEPTOR ANTAGONISTS TACR2, CHRM3, TACR1 ACHE 129/4885BACE1 1150/4885BCHE 221/4885

“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.