Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL906049

CCCn1nc(CC)c2ccc(Br)cc21.N

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ESR1 P03372 2/20 0.42
SLC22A12 Q96S37 7/20 0.39
PDGFRA P16234 1/20 0.35
CDK5 Q00535 1/20 0.35
TYRO3 Q06418 1/20 0.35
KHK P50053 1/20 0.35
KMO O15229 2/20 0.34
GRM2 Q14416 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1B1 P15121 1/20 0.33
ALOX15 P16050 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
SCHEMBL683169 0.98 ADORA2A (0.46) ADORA2AADORA2BESR1SLC22A12PDGFRA
Fumaric Acid SCHEMBL5678076 0.89 SLC22A12 (0.47) ADORA2AADORA2BESR1SLC22A12PDGFRA
SCHEMBL683164 0.86 ADORA2A (0.43) ADORA2AADORA2BESR1SLC22A12PDGFRA
Ammonia Solution, Strong SCHEMBL1981730 0.82 ADORA2A (0.45) ADORA2AADORA2BESR1SLC22A12KHK
SCHEMBL4507507 0.81 GRM4 (0.43) ADORA2AADORA2BESR1SLC22A12PDGFRA
SCHEMBL21114013 0.80 ADORA2A (0.46) ADORA2AADORA2BESR1PDGFRACDK5
SCHEMBL7526015 0.78 SLC22A12 (0.50) SLC22A12KHKPTGDR2ALDH1A1SMN1; SMN2
SCHEMBL906047 0.78 HTR2C (0.51) SLC22A12PDGFRACDK5TYRO3
Ammonia Solution, Strong SCHEMBL905946 0.78 KIF11 (0.42) ADORA2AADORA2BESR1SLC22A12ALDH1A1
SCHEMBL11977395 0.76 SLC22A12 (0.67) SLC22A12PTGDR2AKR1B1

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.