Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL905929

CCCN1CCc2cc(Cl)ccc21.N

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
CASP1 P29466 1/20 0.45
HTT P42858 1/20 0.45
CASP7 P55210 1/20 0.45
SMAD3 P84022 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
CRHR1 P34998 1/20 0.43

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
SCHEMBL12656578 0.98 NOTUM (0.50) NOTUMALDH1A1MEN1KMT2AHTR2A
SCHEMBL11206551 0.88 CRHR1 (0.49) NOTUMALDH1A1MEN1KMT2AHTR2A
Ammonia Solution, Strong SCHEMBL905978 0.87 HTR2A (0.60) NOTUMALDH1A1MEN1KMT2AHTR2A
Hydrochloric Acid SCHEMBL7842029 0.86 HTR2A (0.58) NOTUMALDH1A1MEN1KMT2AHTR2A
Ammonia Solution, Strong SCHEMBL4926298 0.81 NOTUM (0.49) NOTUMALDH1A1MEN1KMT2AKDM4E
SCHEMBL16479227 0.80 ALDH1A1 (0.49) NOTUMALDH1A1MEN1KMT2AKDM4E
SCHEMBL12656441 0.79 NOTUM (0.58) NOTUMALDH1A1MEN1KMT2AHTR2A
SCHEMBL12656474 0.79 NOTUM (0.44) NOTUMALDH1A1MEN1KMT2AHTR2A
SCHEMBL3656320 0.79 MAPT (0.49) NOTUMALDH1A1MEN1KMT2AKDM4E
SCHEMBL21469180 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHTR2AHTR2C

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 NOTUM 2356/4885ALDH1A1 527/4885MEN1 4045/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C NOTUM 2356/4885ALDH1A1 527/4885MEN1 4045/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C NOTUM 2356/4885ALDH1A1 527/4885MEN1 4045/4885

“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.