Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL5329244

CC(Cc1ccc(O)cc1)c1ccc(O)cc1.N

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.96
ESR2 Q92731 15/20 0.96
TAAR1 Q96RJ0 3/20 0.57
SLC6A2 P23975 1/20 0.57
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50

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
SCHEMBL1171038 0.98 ESR1 (1.00) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL9810145 0.98 ESR1 (1.00) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL547164 0.98 ESR1 (1.00) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL296781 0.98 ESR1 (1.00) ESR1ESR2TAAR1SLC6A2MEN1
Ammonia Solution, Strong SCHEMBL8976244 0.92 ESR1 (0.81) ESR1ESR2TAAR1SLC6A2
SCHEMBL7809659 0.92 ESR1 (0.88) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL4905759 0.92 ESR1 (0.88) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL9817988 0.92 ESR1 (0.88) ESR1ESR2TAAR1SLC6A2MEN1
Acetic Acid SCHEMBL8866231 0.91 ESR1 (0.79) ESR1ESR2TAAR1SLC6A2CYP2C9
Ammonia Solution, Strong SCHEMBL8865775 0.90 ESR1 (0.78) ESR1ESR2TAAR1SLC6A2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5539120-A Arylalkyl-amines having anticonvulsant and neuroprotective properties AGENCE SPATIALE EUROPEENNE (FR) 1996-07-23 US claimed
EP-0356035-B1 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1996-03-13 EP claimed
WO-1991011995-A1 ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES FISONS CORPORATION (US) 1991-08-22 WO claimed
EP-0356035-A2 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1990-02-28 EP claimed
US-20230142111-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-11 US disclosed
US-11213494-B2 Compositions and methods for the treatment of pervasive development disorders CASE WESTERN RESERVE UNIVERSITY (US) 2022-01-04 US disclosed
US-10555916-B2 NMDAR antagonist for the treatment of pervasive development disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-11 US disclosed
EP-3485882-A1 COMPOSITIONS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS Case Western Reserve University (US) 2019-05-22 EP disclosed
EP-2948135-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS UNIV CASE WESTERN RESERVE (US) 2019-01-02 EP disclosed
US-20180008559-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-01-11 US disclosed
US-20150359759-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS CASE WESTERN RESERVE UNIVERSITY 2015-12-17 US disclosed
EP-2948135-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS Case Western Reserve University (US) 2015-12-02 EP disclosed
WO-2007017652-A2 ARYLAKYLAMINES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
US-5605916-A Arylalkyl-amines having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1997-02-25 US disclosed
EP-0356035-B1 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1996-03-13 EP disclosed
US-5430044-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (GB) 1995-07-04 US disclosed
EP-0648745-A1 Arylalkylamine having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1995-04-19 EP disclosed
EP-0648489-A1 Arylalkylamides having neuroprotective properties FISONS CORPORATION (US) 1995-04-19 EP disclosed
US-5331007-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (US) 1994-07-19 US disclosed
EP-0356035-A2 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1990-02-28 EP 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 (5 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-20230142111-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2D, GRIN2A, GRIN2C ESR1 4053/4885ESR2 4166/4885TAAR1 123/4885
US-20150359759-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS MECP2, GRIN2A, GRIN2C ESR1 3944/4885ESR2 3031/4885TAAR1 726/4885
US-11213494-B2 Compositions and methods for the treatment of pervasive development disorders GRIN2A, GRIN2C, GRIN2D ESR1 3476/4885ESR2 3791/4885TAAR1 193/4885
US-20180008559-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2A, GRIN2C, GRIN2D ESR1 3476/4885ESR2 3791/4885TAAR1 193/4885
US-10555916-B2 NMDAR antagonist for the treatment of pervasive development disorders MECP2, GRIN2A, GRIN2B ESR1 3605/4885ESR2 2727/4885TAAR1 669/4885

“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.