SCHEMBL378138

SCHEMBL378138

NC(Cc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
SLC7A5 Q01650 2/20 0.48
TAAR1 Q96RJ0 5/20 0.48
SLC6A2 P23975 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47

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
Hydrochloric Acid SCHEMBL8866771 0.98 EPHX1 (0.48) EPHX1SLC7A5TAAR1SLC6A2CYP1A2
SCHEMBL3917628 0.92 TAAR1 (0.53) EPHX1SLC7A5TAAR1SLC6A2CYP1A2
Hydrochloric Acid SCHEMBL9510561 0.90 TAAR1 (0.52) EPHX1SLC7A5TAAR1SLC6A2CYP1A2
SCHEMBL5332232 0.90 TAAR1 (0.59) SLC7A5TAAR1SLC6A2CYP1A2CYP2D6
SCHEMBL272604 0.85 EPHX1 (0.61) EPHX1SLC7A5TAAR1SLC6A2CYP1A2
SCHEMBL3451169 0.85 EPHX1 (0.61) EPHX1SLC7A5TAAR1SLC6A2CYP1A2
SCHEMBL468022 0.85 EPHX1 (0.61) EPHX1SLC7A5TAAR1SLC6A2CYP1A2
Hydrochloric Acid SCHEMBL27276749 0.83 EPHX1 (0.58) EPHX1SLC7A5TAAR1SLC6A2CYP1A2
Hydrochloric Acid SCHEMBL28839661 0.83 EPHX1 (0.58) EPHX1SLC7A5TAAR1SLC6A2CYP1A2
SCHEMBL9323047 0.82 EPHX1 (0.52) EPHX1SLC7A5TAAR1SLC6A2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 WO claimed
WO-2007017652-A2 ARYLAKYLAMINES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-02-15 WO 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-5605916-A Arylalkyl-amines having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1997-02-25 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
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 EPHX1 670/4885SLC7A5 1323/4885TAAR1 123/4885
US-20150359759-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS MECP2, GRIN2A, GRIN2C EPHX1 2678/4885SLC7A5 2469/4885TAAR1 726/4885
US-11213494-B2 Compositions and methods for the treatment of pervasive development disorders GRIN2A, GRIN2C, GRIN2D EPHX1 1184/4885SLC7A5 1360/4885TAAR1 193/4885
US-20180008559-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2A, GRIN2C, GRIN2D EPHX1 1184/4885SLC7A5 1360/4885TAAR1 193/4885
US-10555916-B2 NMDAR antagonist for the treatment of pervasive development disorders MECP2, GRIN2A, GRIN2B EPHX1 3685/4885SLC7A5 2014/4885TAAR1 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.