SCHEMBL506831

SCHEMBL506831

CC(Oc1ccc(CN)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.44
ST14 Q9Y5Y6 1/20 0.42
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SLC6A4 P31645 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CSNK2A1 P68400 2/20 0.38
P2RX3 P56373 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL23674125 1.00 MAOB (0.44) MAOBST14KEAP1NFE2L2SLC6A4
Hydrochloric Acid SCHEMBL23674276 0.98 MAOB (0.46) MAOBST14KEAP1NFE2L2SLC6A4
Hydrochloric Acid SCHEMBL23674275 0.98 MAOB (0.46) MAOBST14KEAP1NFE2L2SLC6A4
SCHEMBL507734 0.86 MAOB (0.41) MAOBST14KEAP1NFE2L2SLC6A4
SCHEMBL11433 0.79 TDP1 (0.43) MAOB
SCHEMBL10941 0.79 TDP1 (0.43) MAOB
SCHEMBL11238 0.79 TDP1 (0.43) MAOB
SCHEMBL746669 0.78 POLB (0.55) MAOBST14KEAP1NFE2L2SLC6A4
Hydrochloric Acid SCHEMBL30670765 0.76 CYP1A2 (0.56) MAOBST14KEAP1NFE2L2SLC6A4
SCHEMBL17707975 0.76 ACHE (0.41) P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294491-A1 SALT OF HETEROCYCLIC COMPOUND WITH ANTI-MALARIA ACTIVITY, AND CRYSTALS THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-09-05 US disclosed
EP-4342889-A1 SALT OF HETEROCYCLIC COMPOUND WITH ANTI-MALARIA ACTIVITY, AND CRYSTALS THEREOF Eisai R&D Management Co., Ltd. (JP) 2024-03-27 EP disclosed
US-20230108442-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-04-06 US disclosed
WO-2023002965-A1 SALT OF HETEROCYCLIC COMPOUND WITH ANTI-MALARIA ACTIVITY, AND CRYSTALS THEREOF エーザイ・アール・アンド・ディー・マネジメント株式会社 2023-01-26 WO disclosed
EP-4058147-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd (JP) 2022-09-21 EP disclosed
WO-2021149692-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-07-29 WO disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO 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 (4 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 MAOB 455/4885ST14 1400/4885KEAP1 3647/4885
US-20230108442-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND QDPR, DHODH, THPO MAOB 1815/4885ST14 4398/4885KEAP1 50/4885
US-20240294491-A1 SALT OF HETEROCYCLIC COMPOUND WITH ANTI-MALARIA ACTIVITY, AND CRYSTALS THEREOF REN, RCC1, LSS MAOB 2651/4885ST14 1387/4885KEAP1 2262/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A MAOB 194/4885ST14 1324/4885KEAP1 2379/4885

“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.