Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL484756

CCCCCCCC(=O)OCC.N

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.72
PAM P19021 2/20 0.64
TSHR P16473 2/20 0.60
MAPT P10636 1/20 0.60
CYP1A2 P05177 1/20 0.59
LMNA P02545 4/20 0.58
ALDH1A1 P00352 2/20 0.58
DNM1 Q05193 1/20 0.58
KDM4E B2RXH2 1/20 0.56
DUSP3 P51452 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PRKCA P17252 1/20 0.53
PRKCE Q02156 1/20 0.53
PRKCQ Q04759 1/20 0.53
PRKCD Q05655 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
Ammonia Solution, Strong SCHEMBL27681753 1.00 DGKA (0.72) DGKAPAMTSHRMAPTCYP1A2
Ammonia Solution, Strong SCHEMBL11147784 1.00 DGKA (0.72) DGKAPAMTSHRMAPTCYP1A2
Ammonia Solution, Strong SCHEMBL27753086 1.00 DGKA (0.72) DGKAPAMTSHRMAPTCYP1A2
Ammonia Solution, Strong SCHEMBL27880730 1.00 DGKA (0.72) DGKAPAMTSHRMAPTCYP1A2
Ammonia Solution, Strong SCHEMBL21219078 1.00 DGKA (0.72) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL116995 0.98 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
Hexane SCHEMBL2349171 0.98 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL454 0.98 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
Hexane SCHEMBL3138126 0.98 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL8375548 0.98 DGKA (0.75) DGKAPAMTSHRMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO disclosed
US-20090318695-A1 PROCESSES FOR THE PREPARATION OF VARENICLINE AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-12-24 US disclosed
WO-2009155403-A2 PROCESSES FOR THE PREPARATION OF VARENICLINE AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-12-23 WO disclosed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 US disclosed
US-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus GIBSON STEPHEN PAUL (GB) 2003-01-02 US disclosed
US-20020099216-A1 Compounds useful in therapy PFIZER INC. 2002-07-25 US disclosed
US-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-06-13 US disclosed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 US disclosed
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP disclosed
CN-1054376-C Substituted 1H-imidazoles UCB SA (BE) 2000-07-12 CN disclosed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 WO disclosed
US-5658938-A HYPOTENSIVE AGENT, ANTIISCHMIC AGENTS U C B S.A. (BE) 1997-08-19 US disclosed
CN-1133837-A Substituted 1H-imidazoles UCB SA (BE) 1996-10-23 CN 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 (9 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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 DGKA 1746/4885PAM 3127/4885TSHR 3143/4885
US-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN DGKA 3000/4885PAM 453/4885TSHR 338/4885
US-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 DGKA 3457/4885PAM 1026/4885TSHR 2684/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 DGKA 3457/4885PAM 1026/4885TSHR 2684/4885
US-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus HRH2, HRH4, HRH1 DGKA 2542/4885PAM 1391/4885TSHR 1129/4885
US-20090318695-A1 PROCESSES FOR THE PREPARATION OF VARENICLINE AND INTERMEDIATES THEREOF COMT, CYP3A7, CHRNA7 DGKA 3174/4885PAM 741/4885TSHR 3799/4885
US-20020099216-A1 Compounds useful in therapy OPRD1, OPRL1, OPRM1 DGKA 2949/4885PAM 1751/4885TSHR 433/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN DGKA 3000/4885PAM 453/4885TSHR 338/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 DGKA 1746/4885PAM 3127/4885TSHR 3143/4885

“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.