SCHEMBL1034422

SCHEMBL1034422

O=C(Cl)OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.68
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
OPRK1 P41145 1/20 0.54
ACHE P22303 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
Hydrochloric Acid SCHEMBL14166026 0.98 BCHE (0.67) BCHEMEN1TSHRKMT2ASIGMAR1
SCHEMBL8313882 0.89 BCHE (0.70) BCHEMEN1TSHRKMT2ASIGMAR1
SCHEMBL186785 0.86 BCHE (0.67) BCHEMEN1TSHRKMT2ASIGMAR1
SCHEMBL4135213 0.86 BCHE (0.67) BCHEMEN1TSHRKMT2ASIGMAR1
SCHEMBL8550490 0.85 BCHE (0.65) BCHEMEN1KMT2AOPRK1ACHE
Hydrochloric Acid SCHEMBL22587709 0.85 BCHE (0.65) BCHEMEN1TSHRKMT2ASIGMAR1
Hydrochloric Acid SCHEMBL9380707 0.85 BCHE (0.65) BCHEMEN1TSHRKMT2ASIGMAR1
Hydrochloric Acid SCHEMBL8556315 0.84 MEN1 (0.65) BCHEMEN1KMT2AOPRK1ACHE
Hydrochloric Acid SCHEMBL10969823 0.84 BCHE (0.64) BCHEMEN1TSHRKMT2ASIGMAR1
SCHEMBL27780812 0.84 BCHE (0.64) BCHESIGMAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302787-B1 2-Methyl(4-piperidinyl)-benzofuro[2,3-c] pyridines, their preparation and therapeutical use SYNTHELABO (FR) 1991-10-30 EP claimed
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 US disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO disclosed
EP-1786819-B1 DIHYDROPTERIDINONE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2011-01-26 EP disclosed
EP-1786819-A1 DIHYDROPTERIDINONE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-05-23 EP disclosed
WO-2006021379-A1 DIHYDROPTERIDINONE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 WO disclosed
EP-1630163-A1 Dihydropteridinones, methods for their preparation and their use as drugs Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2006-03-01 EP 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 (1 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-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B BCHE 571/4885MEN1 3379/4885TSHR 228/4885

“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.