SCHEMBL5302829

SCHEMBL5302829

CC(c1ccccc1)C(N)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
TDO2 P48775 1/20 0.50
ALDH1A1 P00352 3/20 0.43
DPP4 P27487 2/20 0.41
MAOA P21397 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37

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
SCHEMBL2401036 0.82 IDO1 (0.46) IDO1TDO2ALDH1A1DPP4MAOA
SCHEMBL11080503 0.82 IDO1 (0.46) IDO1TDO2ALDH1A1MAOAMEN1
SCHEMBL30762162 0.82 IDO1 (0.46) IDO1TDO2ALDH1A1DPP4MAOA
SCHEMBL29278100 0.82 IDO1 (0.46) IDO1TDO2ALDH1A1DPP4MAOA
SCHEMBL5772657 0.82 IDO1 (0.52) IDO1TDO2ALDH1A1DPP4MAOA
Hydrochloric Acid SCHEMBL30762179 0.81 IDO1 (0.49) IDO1TDO2ALDH1A1MAOAMEN1
Hydrochloric Acid SCHEMBL17764461 0.81 IDO1 (0.49) IDO1TDO2ALDH1A1MAOAMEN1
SCHEMBL179997 0.80 DPP4 (0.65) ALDH1A1DPP4MAOAADRA2AADRA2C
SCHEMBL17108646 0.80 DPP4 (0.65) ALDH1A1DPP4MAOAADRA2AADRA2C
SCHEMBL10024960 0.80 DPP4 (0.65) ALDH1A1DPP4MAOAADRA2AADRA2C

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
WO-2007017652-A2 ARYLAKYLAMINES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-02-15 WO claimed
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
US-5539120-A Arylalkyl-amines having anticonvulsant and neuroprotective properties AGENCE SPATIALE EUROPEENNE (FR) 1996-07-23 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-0648489-A1 Arylalkylamides having neuroprotective properties FISONS CORPORATION (US) 1995-04-19 EP disclosed
EP-0648745-A1 Arylalkylamine having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 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
WO-1991011995-A1 ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES FISONS CORPORATION (US) 1991-08-22 WO 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 IDO1 484/4885TDO2 220/4885ALDH1A1 1764/4885
US-20150359759-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS MECP2, GRIN2A, GRIN2C IDO1 3020/4885TDO2 729/4885ALDH1A1 3577/4885
US-11213494-B2 Compositions and methods for the treatment of pervasive development disorders GRIN2A, GRIN2C, GRIN2D IDO1 723/4885TDO2 549/4885ALDH1A1 2901/4885
US-20180008559-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2A, GRIN2C, GRIN2D IDO1 723/4885TDO2 549/4885ALDH1A1 2901/4885
US-10555916-B2 NMDAR antagonist for the treatment of pervasive development disorders MECP2, GRIN2A, GRIN2B IDO1 2402/4885TDO2 868/4885ALDH1A1 3844/4885

“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.