Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL2078097

N.c1ccc2c(c1)CCCO2

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
TSHR P16473 1/20 0.46
CTNNB1 P35222 7/20 0.45
WNT3A P56704 7/20 0.45
LMNA P02545 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
OXTR P30559 1/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
NOTUM Q6P988 1/20 0.37
RIPK1 Q13546 1/20 0.37

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
Fluoride SCHEMBL28202465 0.98 ITGB2 (0.52) ITGB2ICAM1ITGALTSHRCTNNB1
SCHEMBL28007596 0.98 ITGB2 (0.52) ITGB2ICAM1ITGALTSHRCTNNB1
SCHEMBL29356442 0.98 ITGB2 (0.52) ITGB2ICAM1ITGALTSHRCTNNB1
SCHEMBL8447 0.98 ITGB2 (0.52) ITGB2ICAM1ITGALTSHRCTNNB1
SCHEMBL5313090 0.98 ITGB2 (0.52) ITGB2ICAM1ITGALTSHRCTNNB1
SCHEMBL7650589 0.95 ITGB2 (0.50) ITGB2ICAM1ITGALTSHRCTNNB1
Water SCHEMBL5189676 0.95 ITGB2 (0.50) ITGB2ICAM1ITGALTSHRCTNNB1
Iodide SCHEMBL30543385 0.95 ITGB2 (0.50) ITGB2ICAM1ITGALTSHRCTNNB1
Bromide SCHEMBL11373619 0.95 ITGB2 (0.50) ITGB2ICAM1ITGALTSHRCTNNB1
Water SCHEMBL7527071 0.95 ITGB2 (0.50) ITGB2ICAM1ITGALTSHRCTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103012380-B Chroman compound, and preparation method and application thereof UNIV SHANDONG 2015-03-04 CN claimed
CN-103012380-A Chroman compound, and preparation method and application thereof UNIV SHANDONG 2013-04-03 CN claimed
CN-1714089-A Novel use of substituted aminomethyl chromans MERCK PATENT GMBH (DE) 2005-12-28 CN claimed
CN-105555775-A Process for preparing medicaments for the treatment of cardiovascular diseases and intermediates used therein BIAL - PORTELA & CA S A 2016-05-04 CN disclosed
CN-103012380-B Chroman compound, and preparation method and application thereof UNIV SHANDONG 2015-03-04 CN disclosed
CN-102714309-B Anode material for electrochemical cells and a method for producing same ELIONT LLC 2015-02-18 CN disclosed
US-8552181-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-10-08 US disclosed
CN-103012380-A Chroman compound, and preparation method and application thereof UNIV SHANDONG 2013-04-03 CN disclosed
CN-102714309-A Anode material for electrochemical cells and a method for producing same ELIONT LLC 2012-10-03 CN disclosed
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-30 US disclosed
US-8163909-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
EP-1343778-A2 DI-SUBSTITUTED AMINOMETHYL CHROMAN DERIVATIVE BETA-3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2003-09-17 EP disclosed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US disclosed
US-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US disclosed
WO-2002085891-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-10-31 WO disclosed
WO-2002048134-A2 DI-SUBSTITUTED AMINOMETHYL CHROMAN DERIVATIVE BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-06-20 WO disclosed
CN-1340220-A Improved lithium manganese oxide based active materials VALENCE TECHNOLOGY INC (US) 2002-03-13 CN disclosed
US-5846942-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1998-12-08 US disclosed
US-5593967-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1997-01-14 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 (3 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-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ITGB2 856/4885ICAM1 2227/4885ITGAL 1013/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP ITGB2 3124/4885ICAM1 2967/4885ITGAL 2383/4885
US-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists ADRB3, ADRB1, ADRB2 ITGB2 949/4885ICAM1 2020/4885ITGAL 1142/4885

“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.