SCHEMBL3474511

SCHEMBL3474511

OCCCN(CC1CC1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.48
SIGMAR1 Q99720 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
OPRM1 P35372 3/20 0.46
CHRM2 P08172 3/20 0.46
CHRM3 P20309 3/20 0.46
CXCR4 P61073 1/20 0.46
ACHE P22303 2/20 0.46

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
SCHEMBL3472844 0.88 SIGMAR1 (0.49) CCR3SIGMAR1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL3474349 0.79 SIGMAR1 (0.52) SIGMAR1HTR2AHTR2CHTR2BOPRM1
SCHEMBL3475209 0.75 ACHE (0.57) CCR3SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL5228406 0.75 CCR3 (0.63) CCR3SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL10759530 0.73 ACHE (0.62) CCR3SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL10762688 0.71 KDM4E (0.57) CCR3SIGMAR1OPRM1ACHE
SCHEMBL16757422 0.71 KMT2A (0.73) CCR3OPRM1CHRM2CHRM3ACHE
SCHEMBL11689135 0.71 ACHE (0.51) CCR3SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL368874 0.71 CCR3 (0.67) CCR3CXCR4ACHE
SCHEMBL349053 0.71 CCR3 (0.71) CCR3SIGMAR1HTR2AHTR2CHTR2B

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 CCR3 803/4885SIGMAR1 992/4885HTR2A 630/4885
US-20040151770-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists TACR2, CHRM3, TACR1 CCR3 327/4885SIGMAR1 303/4885HTR2A 506/4885
US-20020147219-A1 Neurokinin antagonists TACR2, TACR1, TAC3 CCR3 189/4885SIGMAR1 168/4885HTR2A 91/4885
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients PDE4B, CHRM3, ADRA2C CCR3 695/4885SIGMAR1 946/4885HTR2A 810/4885
US-20020169181-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists TACR2, CHRM3, TACR1 CCR3 327/4885SIGMAR1 303/4885HTR2A 506/4885
US-20030100565-A1 Method for the treatment or prevention of atopic dermatitis TACR1, BDKRB1, CPA3 CCR3 163/4885SIGMAR1 1170/4885HTR2A 1106/4885
US-20030212075-A1 PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND NK1-RECEPTOR ANTAGONISTS TACR2, CHRM3, TACR1 CCR3 327/4885SIGMAR1 303/4885HTR2A 506/4885

“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.