Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL906052

CCCN1CCc2ccc(OC)cc21.N

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 7/20 0.50
DRD5 P21918 7/20 0.50
DRD2 P14416 7/20 0.50
DRD3 P35462 6/20 0.50
DRD4 P21917 4/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
RORC P51449 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL10092656 0.90 MEN1 (0.57) DRD1DRD5DRD2DRD3DRD4
SCHEMBL2632890 0.86 NOTUM (0.52) DRD1DRD5DRD2DRD3DRD4
SCHEMBL12718802 0.86 HRH3 (0.51) DRD1DRD5DRD2DRD3DRD4
SCHEMBL8067706 0.85 DRD1 (0.50) DRD1DRD5DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7840936 0.81 DRD1 (0.47) DRD1DRD5DRD2DRD3DRD4
Ammonia Solution, Strong SCHEMBL905865 0.80 ALDH1A1 (0.47) DRD2DRD4MEN1ALDH1A1KMT2A
SCHEMBL23489361 0.79 MAPT (0.50) DRD1DRD5DRD2DRD3DRD4
SCHEMBL10490519 0.79 HRH3 (0.52) DRD1DRD5DRD2DRD3DRD4
SCHEMBL30739441 0.79 KDM4E (0.49) DRD1DRD5DRD2DRD3DRD4
Ammonia Solution, Strong SCHEMBL905757 0.78 HTR2A (0.60) MEN1ALDH1A1KMT2AHDAC1HDAC6

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
US-6380238-B1 FOR THERAPY OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS, AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-30 US claimed
EP-1109784-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP claimed
WO-2000012475-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS 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-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed
US-6380238-B1 FOR THERAPY OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS, AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-30 US disclosed
EP-1109784-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP disclosed
WO-2000012475-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO 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 DRD1 505/4885DRD5 238/4885DRD2 208/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C DRD1 505/4885DRD5 238/4885DRD2 208/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C DRD1 505/4885DRD5 238/4885DRD2 208/4885

“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.