SCHEMBL8867023

SCHEMBL8867023

NC(Cc1ccccc1)c1ccncc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.66
▸ SLC6A4 P31645 3/20 0.66
▸ SLC6A3 Q01959 3/20 0.66
▸ DPP4 P27487 1/20 0.50
▸ GRIN2D O15399 1/20 0.50
▸ GRIN3B O60391 1/20 0.50
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2A Q12879 1/20 0.50
▸ GRIN2B Q13224 1/20 0.50
▸ GRIN2C Q14957 1/20 0.50
▸ GRIN3A Q8TCU5 1/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ CYP2D6 P10635 1/20 0.48
▸ TAAR1 Q96RJ0 2/20 0.47
▸ MAOA P21397 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
▸ CYP1A2 P05177 1/20 0.46

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 SCHEMBL9321422 0.98 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3DPP4GRIN2D
SCHEMBL1157043 0.92 SLC6A4 (0.60) SLC6A2SLC6A4SLC6A3DPP4GRIN2D
Hydrochloric Acid SCHEMBL9322527 0.90 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3DPP4GRIN2D
Hydrochloric Acid SCHEMBL9322405 0.90 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3DPP4GRIN2D
SCHEMBL9306936 0.90 DPP4 (0.55) SLC6A2SLC6A4SLC6A3DPP4GRIN2D
SCHEMBL3451169 0.85 EPHX1 (0.61) SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B
SCHEMBL468022 0.85 EPHX1 (0.61) SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B
SCHEMBL272604 0.85 EPHX1 (0.61) SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL27276749 0.83 EPHX1 (0.58) SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL28839661 0.83 EPHX1 (0.58) SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2018-10-30 — — US disclosed
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-02-22 — — US disclosed
US-20180008559-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-01-11 — — US disclosed
US-9434719-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2016-09-06 — — 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-5326762-A Heterocyclic substituted amides SCHERING CORPORATION (US) 1994-07-05 — — US disclosed
EP-0278090-B1 2-Aminoacetamide pyridinyl derivatives FISONS CORP (US) 1994-01-26 — — EP disclosed
US-5149709-A Treatment of atherosclerosis SCHERING CORPORATION (US) 1992-09-22 — — 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
US-4769466-A 2-aminoacetamide pyridinyl derivatives PENNWALT CORPORATION (US) 1988-09-06 — — US disclosed
EP-0278090-A2 2-Aminoacetamide pyridinyl derivatives FISONS CORPORATION (US) 1988-08-17 — — EP disclosed
EP-0110372-B1 1-PHENYLISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-10 — — EP disclosed
US-4547508-A 1-Phenylisoquinoline derivatives, pharmaceutical products containing these compounds and their use HOECHST AKTIENGESELLSCHAFT (DE) 1985-10-15 — — US disclosed
EP-0110372-A1 1-Phenylisoquinoline derivatives, process for their preparation, pharmaceutical compositions containing these compounds and their use HOECHST AKTIENGESELLSCHAFT (DE) 1984-06-13 — — 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 (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-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A SLC6A2 3894/4885SLC6A4 4306/4885SLC6A3 2642/4885
US-20230142111-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2D, GRIN2A, GRIN2C SLC6A2 141/4885SLC6A4 86/4885SLC6A3 69/4885
US-20150359759-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS MECP2, GRIN2A, GRIN2C SLC6A2 136/4885SLC6A4 127/4885SLC6A3 78/4885
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH IDH1, IDH3B, IDH3A SLC6A2 3894/4885SLC6A4 4306/4885SLC6A3 2642/4885
US-11213494-B2 Compositions and methods for the treatment of pervasive development disorders GRIN2A, GRIN2C, GRIN2D SLC6A2 126/4885SLC6A4 89/4885SLC6A3 56/4885
US-20180008559-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2A, GRIN2C, GRIN2D SLC6A2 126/4885SLC6A4 89/4885SLC6A3 56/4885
US-10555916-B2 NMDAR antagonist for the treatment of pervasive development disorders MECP2, GRIN2A, GRIN2B SLC6A2 197/4885SLC6A4 128/4885SLC6A3 105/4885

“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.

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