SCHEMBL4314299

SCHEMBL4314299

CC(C)(c1ccc(O)cc1)c1ccc(OCc2cccc(COc3ccc(C(=N)NC(=O)O)cc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.49
PTPN1 P18031 1/20 0.49
MRGPRX4 Q96LA9 4/20 0.48
F2 P00734 2/20 0.47
NR4A2 P43354 3/20 0.46
MAOB P27338 4/20 0.46
GRM5 P41594 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
TP53 P04637 2/20 0.44
PKM P14618 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RXRG P48443 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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 SCHEMBL6334189 0.99 F2 (0.48) PTPRCPTPN1MRGPRX4F2NR4A2
Amelubant SCHEMBL1891670 0.90 GRM5 (0.45) PTPRCPTPN1MRGPRX4F2NR4A2
Amelubant SCHEMBL29359085 0.90 GRM5 (0.45) PTPRCPTPN1MRGPRX4F2NR4A2
SCHEMBL5200582 0.85 PTPRC (0.46) PTPRCPTPN1MRGPRX4F2NR4A2
SCHEMBL31506335 0.82 F2 (0.72) F2
SCHEMBL4999957 0.82 F2 (0.72) F2
Hydrochloric Acid SCHEMBL6557386 0.81 F2 (0.73) F2
SCHEMBL668003 0.80 PTPRC (0.46) PTPRCPTPN1MRGPRX4F2NR4A2
SCHEMBL22120093 0.80 NR4A1 (0.64) PTPRCPTPN1NR4A2MAOBSMN1; SMN2
Hydrochloric Acid SCHEMBL7631983 0.79 F2 (0.46) PTPRCPTPN1MRGPRX4F2NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417382-B1 None US disclosed
US-10220165-B2 Inhalator and capsule for an inhalator BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-05 US disclosed
EP-2875020-B1 PROCESS FOR THE PREPARATION OF A FUMARIC ACID SALT OF 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY- CHINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE BOEHRINGER INGELHEIM INT (DE) 2017-09-06 EP disclosed
EP-2875020-A1 FUMARIC ACID SALT OF 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY- CHINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE, ITS USE AS MEDICAMENT AND THE PREPARATION THEREOF Boehringer Ingelheim International GmbH (DE) 2015-05-27 EP disclosed
US-8906931-B1 9-[4-(3-chloro-2-fluoro-phenylamino-7-methoxy-quinazoline-6-yloxy]-1,4-diaza-spiro[5.5]undecane-5-one dimaleate, use thereof as a medicament and method for the production thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-09 US disclosed
US-8772298-B2 Spirocyclic heterocycles medicaments containing said compounds, use thereof and method for their production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
US-20140182587-A1 INHALATOR AND CAPSULE FOR AN INHALATOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-03 US disclosed
WO-2014012859-A1 FUMARIC ACID SALT OF 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY- CHINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE, ITS USE AS MEDICAMENT AND THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-23 WO disclosed
US-8598359-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2013-12-03 US disclosed
US-20130281461-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
US-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 US disclosed
US-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF (IS) 2009-06-25 US disclosed
US-20080260817-A1 Compositions for the Treatment of Inflammation and Pain Using a Combination of a Cox-2 Selective Inhibitor and a Ltb4 Receptor Antagonist PFIZER INC. 2008-10-23 US disclosed
US-7402684-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENECTICS EHF. (IS) 2008-07-22 US disclosed
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-04-05 US disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 US disclosed
US-6861547-B2 Process for preparing aryl-iminomethyl-carbamino acid esters BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-01 US disclosed
US-20020137963-A1 Process for preparing aryl-iminomethyl-carbamino acid esters BRANDENBURG JOERG (DE) 2002-09-26 US disclosed
US-6417382-B2 REACTING 4-((3-(PHENOXYMETHYL)PHENOXYMETHYL)BENZONITRILE WITH AN ALKALI METAL HEXAALKYLDISILAZANE AND TREATING THE RESULTING COMPOUND WITH A CARBONATE OR HALOFORMATE, FORMING A PROTIC ACID SALT, ISOLATING THE SALT AND TREATING WITH BASE BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-07-09 US disclosed
US-20010009958-A1 Process for preparing aryl-iminomethyl-carbamino acid esters BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2001-07-26 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-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production PKD1, BPHL, CYP11B2 PTPRC 512/4885PTPN1 621/4885MRGPRX4 2590/4885
US-20020137963-A1 Process for preparing aryl-iminomethyl-carbamino acid esters MEP1A, CPS1, CYP51A1 PTPRC 2831/4885PTPN1 2997/4885MRGPRX4 2377/4885
US-20130281461-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production PKD1, BPHL, CYP11B2 PTPRC 512/4885PTPN1 621/4885MRGPRX4 2590/4885
US-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S PTPRC 2191/4885PTPN1 3917/4885MRGPRX4 174/4885
US-20010009958-A1 Process for preparing aryl-iminomethyl-carbamino acid esters MEP1A, CPS1, CYP51A1 PTPRC 2831/4885PTPN1 2997/4885MRGPRX4 2377/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S PTPRC 2191/4885PTPN1 3917/4885MRGPRX4 174/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S PTPRC 2191/4885PTPN1 3917/4885MRGPRX4 174/4885
US-20080260817-A1 Compositions for the Treatment of Inflammation and Pain Using a Combination of a Cox-2 Selective Inhibitor and a Ltb4 Receptor Antagonist LTB4R2, LTB4R, LTC4S PTPRC 1491/4885PTPN1 2736/4885MRGPRX4 111/4885

“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.