SCHEMBL3475209

SCHEMBL3475209

CN(CC1CC1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.57
CCR3 P51677 1/20 0.55
SIGMAR1 Q99720 5/20 0.53
HTR2A P28223 3/20 0.53
HTR2C P28335 3/20 0.53
HTR2B P41595 3/20 0.53
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
DRD2 P14416 2/20 0.52
OPRM1 P35372 2/20 0.51

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
SCHEMBL5570638 0.86 ACHE (0.62) ACHECCR3SIGMAR1HTR2AHTR2C
SCHEMBL8792230 0.84 ACHE (0.60) ACHECCR3SIGMAR1HTR2AHTR2C
SCHEMBL28169833 0.83 CCR3 (0.65) ACHECCR3SIGMAR1
SCHEMBL2108897 0.82 ACHE (0.66) ACHECCR3SIGMAR1HTR2AHTR2C
SCHEMBL4912213 0.82 ACHE (0.57) ACHECCR3SIGMAR1HTR2AHTR2C
SCHEMBL7471631 0.82 OPRM1 (0.62) ACHECCR3SIGMAR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL2976109 0.81 ACHE (0.64) ACHECCR3SIGMAR1HTR2AHTR2C
SCHEMBL28173289 0.81 ACHE (0.64) ACHECCR3SIGMAR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL7472091 0.81 OPRM1 (0.61) ACHECCR3SIGMAR1HTR2AHTR2C
SCHEMBL19311894 0.80 ACHE (0.62) ACHECCR3SIGMAR1HTR2AHTR2C

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 14 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-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 (6 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 20/4885CCR3 803/4885SIGMAR1 992/4885
US-20040151770-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists TACR2, CHRM3, TACR1 ACHE 129/4885CCR3 327/4885SIGMAR1 303/4885
US-20020147219-A1 Neurokinin antagonists TACR2, TACR1, TAC3 ACHE 1524/4885CCR3 189/4885SIGMAR1 168/4885
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients PDE4B, CHRM3, ADRA2C ACHE 16/4885CCR3 695/4885SIGMAR1 946/4885
US-20020169181-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists TACR2, CHRM3, TACR1 ACHE 129/4885CCR3 327/4885SIGMAR1 303/4885
US-20030212075-A1 PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND NK1-RECEPTOR ANTAGONISTS TACR2, CHRM3, TACR1 ACHE 129/4885CCR3 327/4885SIGMAR1 303/4885

“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.