Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL905953

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

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.64
ADORA2B P29275 4/20 0.64
KMO O15229 1/20 0.40
SLC22A12 Q96S37 4/20 0.37
PIM1 P11309 3/20 0.36
PIM2 Q9P1W9 2/20 0.36
ESR1 P03372 1/20 0.35
KMT2A Q03164 1/20 0.35
GLS O94925 1/20 0.35
BRD9 Q9H8M2 1/20 0.34
GSK3A P49840 1/20 0.34
PIM3 Q86V86 1/20 0.34
CYP1A2 P05177 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2B P41595 1/20 0.33
CRHR1 P34998 1/20 0.33

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 SCHEMBL5682009 0.89 ADORA2A (0.51) ADORA2AADORA2BKMOSLC22A12
Ammonia Solution, Strong SCHEMBL905695 0.88 ADORA2A (0.72) ADORA2AADORA2BKMOSLC22A12ESR1
SCHEMBL7772306 0.84 ADORA2A (0.46) ADORA2AADORA2BKMOSLC22A12PIM1
SCHEMBL13106188 0.78 ADORA2A (0.60) ADORA2AADORA2BPIM1PIM2BRD9
SCHEMBL905951 0.77 HTR2A (0.49) ADORA2AADORA2BSLC22A12KMT2ACYP1A2
Fumaric Acid SCHEMBL5682174 0.77 ADORA2A (0.56) ADORA2AADORA2BKMOSLC22A12ESR1
SCHEMBL19597173 0.74 ADORA2A (0.65) ADORA2AADORA2BKMOPIM1KMT2A
SCHEMBL19597086 0.74 ADORA2A (0.65) ADORA2AADORA2BKMOESR1KMT2A
SCHEMBL16682174 0.74 ADORA2A (0.65) ADORA2AADORA2BKMOSLC22A12ESR1
SCHEMBL13106278 0.71 ADORA2A (0.60) ADORA2AADORA2BBRD9

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 12 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
CN-1780612-B Treatment of incontinence with 5HT2C agonists. PFIZER 2010-12-01 CN disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
CN-1780612-A Treatment of incontinence with 5HT2C agonists. PFIZER (US) 2006-05-31 CN 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 31/4885KMO 665/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C ADORA2A 33/4885ADORA2B 31/4885KMO 665/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C ADORA2A 33/4885ADORA2B 31/4885KMO 665/4885

“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.