Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL349727

CC(C)Cc1ccc(F)cc1.N

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.57
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PTGS1 P23219 4/20 0.45
PTGS2 P35354 4/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 2/20 0.45
AKR1C3 P42330 2/20 0.45
CXCR1 P25024 2/20 0.45
CXCR2 P25025 2/20 0.45
ALB P02768 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX5 P09917 1/20 0.45
RARB P10826 1/20 0.45
ADRB3 P13945 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR2A P28223 1/20 0.45
NR1I3 Q14994 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
CXCL8 P10145 1/20 0.45

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
SCHEMBL9170494 0.97 TRPA1 (0.59) TRPA1MAOAMAOBPTGS1PTGS2
SCHEMBL104511 0.97 TRPA1 (0.59) TRPA1MAOAMAOBPTGS1PTGS2
SCHEMBL24244793 0.91 TRPA1 (0.53) TRPA1MAOAMAOBPTGS1PTGS2
SCHEMBL13017113 0.91 TRPA1 (0.53) TRPA1MAOAMAOBPTGS1PTGS2
SCHEMBL8056212 0.85 TRPA1 (0.48) TRPA1MAOAMAOB
SCHEMBL1131597 0.84 PTGS1 (0.56) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL24827555 0.82 TRPA1 (0.50) TRPA1PTGS1PTGS2LMNACYP2C9
SCHEMBL5174938 0.81 PTGS1 (0.54) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL18391826 0.80 TRPA1 (0.44) TRPA1MAOAMAOBHTR2ALOXL2
Ammonia Solution, Strong SCHEMBL7267232 0.79 ESR1 (0.61) TRPA1MAOAMAOBPTGS1PTGS2

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101704756-B The synthetic method of 1-(4-fluorophenyl)-2-methyl-2-propylamine 大连九信精细化工有限公司 2017-12-05 CN claimed
CN-101704756-A Synthesis method of 1- (4-fluorophenyl) -2-methyl-2-propylamine DALIAN KAIFEI FINE CHEMICALS C 2010-05-12 CN claimed
CN-101704756-B The synthetic method of 1-(4-fluorophenyl)-2-methyl-2-propylamine 大连九信精细化工有限公司 2017-12-05 CN disclosed
CN-101704756-B The synthetic method of 1-(4-fluorophenyl)-2-methyl-2-propylamine 大连九信精细化工有限公司 2017-12-05 CN disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 US disclosed
US-8889871-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 US disclosed
US-20140257773-A1 METHOD OF PREDICTING TOXICITY OF CHEMICALS WITH RESPECT TO MICROORGANISMS AND METHOD OF EVALUATING BIOSYNTHETIC PATHWAYS BY USING THEIR PREDICTED TOXICITIES SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-09-11 US disclosed
US-20140163231-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-06-12 US disclosed
EP-1458392-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME Bristol-Myers Squibb Company (US) 2004-09-22 EP disclosed
CN-1158264-C Metabotropic glutamate receptor antagonists for the treatment of central nervous system disorders NPSҩ�����޹�˾ 2004-07-21 CN disclosed
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2004-06-24 US disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
US-20040053955-A1 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-03-18 US disclosed
WO-2003059269-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-24 WO disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 US disclosed
CN-1285820-A Metabotropic glutamate receptor antagonists for the treatment of central nervous system disorders NPS PHARMA INC (US) 2001-02-28 CN 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 (7 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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 TRPA1 4847/4885MAOA 636/4885MAOB 25/4885
US-20040053955-A1 Acridone inhibitors of IMPDH enzyme IMPDH2, IMPDH1, XDH TRPA1 4786/4885MAOA 182/4885MAOB 101/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 TRPA1 4847/4885MAOA 636/4885MAOB 25/4885
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 TRPA1 3417/4885MAOA 3419/4885MAOB 3523/4885
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 TRPA1 694/4885MAOA 1463/4885MAOB 1393/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 TRPA1 4863/4885MAOA 707/4885MAOB 103/4885
US-20140163231-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 TRPA1 4847/4885MAOA 636/4885MAOB 25/4885

“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.