Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL905695

CCCn1nc(C)c2cc(F)c(F)cc21.N

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.72
ADORA2B P29275 4/20 0.72
ESR1 P03372 2/20 0.38
GLS O94925 1/20 0.38
KMO O15229 1/20 0.38
CYP11B2 P19099 1/20 0.33
SLC22A12 Q96S37 2/20 0.32
KDM4C Q9H3R0 1/20 0.31
CYP1A2 P05177 1/20 0.30
SLC9A1 P19634 1/20 0.30
KMT2A Q03164 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
SPR P35270 1/20 0.30

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
Fumaric Acid SCHEMBL5682174 0.88 ADORA2A (0.56) ADORA2AADORA2BESR1KMOSLC22A12
Ammonia Solution, Strong SCHEMBL905953 0.88 ADORA2A (0.64) ADORA2AADORA2BESR1GLSKMO
SCHEMBL7778203 0.82 ADORA2A (0.51) ADORA2AADORA2BESR1GLSKMO
SCHEMBL16682174 0.79 ADORA2A (0.65) ADORA2AADORA2BESR1GLSKMO
SCHEMBL19597086 0.79 ADORA2A (0.65) ADORA2AADORA2BESR1GLSKMO
Fumaric Acid SCHEMBL5682009 0.78 ADORA2A (0.51) ADORA2AADORA2BKMOSLC22A12
SCHEMBL19597347 0.75 ADORA2A (0.69) ADORA2AADORA2BESR1GLSKMO
SCHEMBL13106186 0.74 ADORA2A (0.69) ADORA2AADORA2BESR1SPR
SCHEMBL905693 0.74 ADORA2A (0.45) ADORA2AADORA2BCYP1A2
SCHEMBL19250513 0.72 ADORA2A (0.51) ADORA2AADORA2BESR1GLS

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-1129078-B1 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RES LTD (GB) 2006-03-15 EP claimed
US-6552062-B1 For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity VERNALIS RESEARCH LIMITED (GB) 2003-04-22 US claimed
EP-1129078-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2001-09-05 EP claimed
WO-2000012481-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY________________ VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO claimed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
EP-1129078-B1 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RES LTD (GB) 2006-03-15 EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
US-6552062-B1 For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity VERNALIS RESEARCH LIMITED (GB) 2003-04-22 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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C ADORA2A 33/4885ADORA2B 31/4885ESR1 781/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C ADORA2A 33/4885ADORA2B 31/4885ESR1 781/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C ADORA2A 33/4885ADORA2B 31/4885ESR1 781/4885

“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.