SCHEMBL2596466

SCHEMBL2596466

COC(=O)C1(C)c2ccccc2Oc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.45
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
ALOX5 P09917 4/20 0.44
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ITGA4 P13612 1/20 0.38
NR3C1 P04150 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL27661808 0.82 CHRM3 (0.51) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL4220071 0.82 P2RX4 (0.45) P2RX4CHRM2CHRM1CHRM3ALOX5
SCHEMBL4024039 0.81 GLA (0.47) CHRM2CHRM1CHRM3ALOX5KMT2A
SCHEMBL4217613 0.79 ALDH1A1 (0.49) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL4636487 0.79 ALOX5 (0.38) P2RX4CHRM2CHRM1CHRM3ALOX5
SCHEMBL523847 0.79 ALOX5 (0.41) P2RX4CHRM2CHRM1CHRM3ALOX5
SCHEMBL4221762 0.78 P2RX4 (0.41) P2RX4CHRM2CHRM1CHRM3ALOX5
SCHEMBL11996613 0.78 P2RX4 (0.41) P2RX4ALOX5KMT2AMEN1ALDH1A1
Bromide SCHEMBL27743790 0.78 ALOX5 (0.40) P2RX4CHRM2CHRM1CHRM3ALOX5
SCHEMBL4668240 0.78 ATM (0.43) P2RX4CHRM2CHRM1CHRM3ALOX5

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643961-B2 Cyclohexylamine derivatives having β2 adrenergic antagonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2017-05-09 US disclosed
EP-2569308-B1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2016-11-23 EP disclosed
US-20160264557-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-09-15 US disclosed
US-9315463-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2016-04-19 US disclosed
US-20130281415-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2013-10-24 US disclosed
EP-2569308-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall S.A. (ES) 2013-03-20 EP disclosed
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES PRAT QUINONES MARIA (ES) 2013-02-28 US disclosed
WO-2011141180-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2011-11-17 WO disclosed
US-20090155185-A1 MEDICAMENTS FOR INHALATION COMPRISING AN ANTICHOLINERGIC AND A BETAMIMETIC MEADE CHRISTOPHER JOHN MONTAGUE 2009-06-18 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
CN-1291986-C Anticholinergic agents, method for the production thereof and use thereof as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2006-12-27 CN disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO disclosed
EP-1651224-A1 MEDICAMENTS FOR INHALATION COMPRISING ANTICHOLINERGICS AND A BETAMIMETIC Boehringer Ingelheim International GmbH (DE) 2006-05-03 EP disclosed
CN-1625556-A Anticholinergic agents, method for the production thereof and use thereof as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2005-06-08 CN disclosed
WO-2005013994-A1 MEDICAMENTS FOR INHALATION COMPRISING ANTICHOLINERGICS AND A BETAMIMETIC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO disclosed
US-20050025718-A1 Medicaments for inhalation comprising an anticholinergic and a betamimetic BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US disclosed
US-6696462-B2 CYCLOPROPYLTROPINE CARBOXYLATE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-02-24 US disclosed
US-20030207912-A1 Anticholinergics, processes for the preparation thereof, and pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH. CO. KG (DE) 2003-11-06 US disclosed
US-20030203928-A1 Xanthenecarboxylates, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2003-10-30 US 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 (8 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-20160264557-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 P2RX4 492/4885CHRM2 2/4885CHRM1 9/4885
US-20090155185-A1 MEDICAMENTS FOR INHALATION COMPRISING AN ANTICHOLINERGIC AND A BETAMIMETIC ADRB2, CHRM3, ADRB1 P2RX4 2671/4885CHRM2 4/4885CHRM1 7/4885
US-20130281415-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 P2RX4 658/4885CHRM2 2/4885CHRM1 9/4885
US-20030207912-A1 Anticholinergics, processes for the preparation thereof, and pharmaceutical compositions CHRM1, CHRNA1, CHRNB1 P2RX4 3433/4885CHRM2 5/4885CHRM1 1/4885
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 P2RX4 751/4885CHRM2 2/4885CHRM1 9/4885
US-20030203928-A1 Xanthenecarboxylates, processes for preparing them, and their use as pharmaceutical compositions H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F11, NR3C2 P2RX4 3934/4885CHRM2 334/4885CHRM1 153/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 P2RX4 439/4885CHRM2 3702/4885CHRM1 2249/4885
US-20050025718-A1 Medicaments for inhalation comprising an anticholinergic and a betamimetic ADRB2, CHRM3, ADRB1 P2RX4 2671/4885CHRM2 4/4885CHRM1 7/4885

“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.