SCHEMBL3472844

SCHEMBL3472844

OCCCN(CCO)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
CHRM2 P08172 5/20 0.49
CHRM3 P20309 5/20 0.49
OPRM1 P35372 3/20 0.49
ACHE P22303 1/20 0.49
CCR3 P51677 1/20 0.48
GAA P10253 1/20 0.47
CHRM4 P08173 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 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
SCHEMBL3474511 0.88 CCR3 (0.48) SIGMAR1HTR2AHTR2CHTR2BCHRM2
Hydrochloric Acid SCHEMBL3474349 0.82 SIGMAR1 (0.52) SIGMAR1HTR2AHTR2CHTR2BCHRM2
SCHEMBL10759530 0.76 ACHE (0.62) SIGMAR1HTR2AHTR2CHTR2BCHRM2
SCHEMBL5228406 0.75 CCR3 (0.63) SIGMAR1HTR2AHTR2CHTR2BACHE
SCHEMBL18123522 0.75 OPRM1 (0.65) SIGMAR1CHRM2CHRM3OPRM1GAA
SCHEMBL2499082 0.74 OPRM1 (0.44) SIGMAR1HTR2AHTR2CHTR2BCHRM2
SCHEMBL10762688 0.74 KDM4E (0.57) SIGMAR1OPRM1ACHECCR3CHRM4
SCHEMBL11689135 0.74 ACHE (0.51) SIGMAR1HTR2AHTR2CHTR2BACHE
SCHEMBL16757422 0.74 KMT2A (0.73) CHRM2CHRM3OPRM1ACHECCR3
SCHEMBL11685098 0.73 MEN1 (0.50) SIGMAR1HTR2AHTR2CHTR2BACHE

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 SIGMAR1 992/4885HTR2A 630/4885HTR2C 306/4885
US-20040151770-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists TACR2, CHRM3, TACR1 SIGMAR1 303/4885HTR2A 506/4885HTR2C 542/4885
US-20020147219-A1 Neurokinin antagonists TACR2, TACR1, TAC3 SIGMAR1 168/4885HTR2A 91/4885HTR2C 54/4885
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients PDE4B, CHRM3, ADRA2C SIGMAR1 946/4885HTR2A 810/4885HTR2C 402/4885
US-20020169181-A1 Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists TACR2, CHRM3, TACR1 SIGMAR1 303/4885HTR2A 506/4885HTR2C 542/4885
US-20030212075-A1 PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND NK1-RECEPTOR ANTAGONISTS TACR2, CHRM3, TACR1 SIGMAR1 303/4885HTR2A 506/4885HTR2C 542/4885

“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.