SCHEMBL6682308

SCHEMBL6682308

O=C[C@@H]1C[C@H]1c1cccc2c1CCO2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.52
MTNR1B P49286 1/20 0.51
SLC9A5 Q14940 1/20 0.41
SLC9A2 Q9UBY0 1/20 0.41
DRD2 P14416 12/20 0.41
HTR2A P28223 12/20 0.41
DRD3 P35462 12/20 0.41

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
SCHEMBL19699401 1.00 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL6678123 1.00 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL6680606 0.90 SLC9A1 (0.43) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL6680609 0.90 SLC9A1 (0.43) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL17899786 0.81 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL17894548 0.81 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL17894547 0.81 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL19699402 0.81 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL8489071 0.81 SLC9A1 (0.53) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL6681536 0.80 KDM4E (0.41) DRD2

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-20230382883-A1 HIGHLY PURIFIED PHARMACEUTICAL GRADE TASIMELTEON VANDA PHARMACEUTICALS INC. 2023-11-30 US disclosed
US-11760740-B2 Highly purified pharmaceutical grade tasimelteon VANDA PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
EP-4223747-A1 HIGHLY PURIFIED PHARMACEUTICAL GRADE TASIMELTEON Vanda Pharmaceuticals Inc. (US) 2023-08-09 EP disclosed
US-20230150964-A1 HIGHLY PURIFIED PHARMACEUTICAL GRADE TASIMELTEON VANDA PHARMACEUTICALS INC. 2023-05-18 US disclosed
US-11566011-B2 Highly purified pharmaceutical grade tasimelteon VANDA PHARMACEUTICALS INC. (US) 2023-01-31 US disclosed
US-11203581-B2 Highly purified pharmaceutical grade tasimelteon VANDA PHARMACEUTICALS INC. (US) 2021-12-21 US disclosed
US-20210017143-A1 HIGHLY PURIFIED PHARMACEUTICAL GRADE TASIMELTEON VANDA PHARMACEUTICALS INC. 2021-01-21 US disclosed
US-10829465-B2 Highly purified pharmaceutical grade tasimelteon VANDA PHARMACEUTICALS INC. (US) 2020-11-10 US disclosed
US-20200190048-A1 HIGHLY PURIFIED PHARMACEUTICAL GRADE TASIMELTEON VANDA PHARMACEUTICALS INC. 2020-06-18 US disclosed
US-10611744-B2 Highly purified pharmaceutical grade tasimelteon VANDA PHARMACEUTICALS INC. (US) 2020-04-07 US disclosed
US-20170190683-A1 HIGHLY PURIFID PHARMACEUTICAL GRADE TASIMELTEON VANDA PHARMACEUTICALS INC. 2017-07-06 US disclosed
WO-2016109359-A1 CYCLOPROPYL DIHYDROBENZOFURAN MODULATORS OF MELATONIN RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
WO-2016109359-A1 CYCLOPROPYL DIHYDROBENZOFURAN MODULATORS OF MELATONIN RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
EP-1027043-B1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-11-10 EP disclosed
EP-1027043-A4 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-02-20 EP disclosed
EP-1027043-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS Bristol-Myers Squibb Company (US) 2000-08-16 EP disclosed
US-6060506-A FOR TREATMENT OF SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-09 US disclosed
US-5981571-A USEFUL AS MELATONERGIC AGENTS IN THE TREATMENT OF SLEEP DISORDERS, SEASONAL DEPRESSION, SHIFTS IN CIRCADIAN CYCLES, MELANCHOLIA, STRESS, APPETITE REGULATION, BENIGN PROSTATIC HYPERPLASIA AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-09 US disclosed
US-5856529-A ADJUSTMENT OF NERVOUS SYSTEM, ENDOCRINE FUNCTION; REPRODUCTION, BODY WEIGHT AND METABOLISM BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-05 US disclosed
WO-1998025606-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-18 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 (10 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-20200190048-A1 HIGHLY PURIFIED PHARMACEUTICAL GRADE TASIMELTEON GMPS, TAS2R45, TAS2R10 SLC9A1 3196/4885MTNR1B 2331/4885SLC9A5 2407/4885
US-11566011-B2 Highly purified pharmaceutical grade tasimelteon GMPS, TAS2R45, TAS2R10 SLC9A1 3196/4885MTNR1B 2331/4885SLC9A5 2407/4885
US-20170190683-A1 HIGHLY PURIFID PHARMACEUTICAL GRADE TASIMELTEON GMPS, TAS2R60, TAS2R20 SLC9A1 3889/4885MTNR1B 3291/4885SLC9A5 3020/4885
US-20210017143-A1 HIGHLY PURIFIED PHARMACEUTICAL GRADE TASIMELTEON GMPS, TAS2R45, TAS2R10 SLC9A1 3196/4885MTNR1B 2331/4885SLC9A5 2407/4885
US-20230382883-A1 HIGHLY PURIFIED PHARMACEUTICAL GRADE TASIMELTEON GMPS, TAS2R45, TAS2R10 SLC9A1 3196/4885MTNR1B 2331/4885SLC9A5 2407/4885
US-11760740-B2 Highly purified pharmaceutical grade tasimelteon GMPS, TAS2R45, TAS2R10 SLC9A1 3196/4885MTNR1B 2331/4885SLC9A5 2407/4885
US-11203581-B2 Highly purified pharmaceutical grade tasimelteon GMPS, TAS2R45, TAS2R10 SLC9A1 3196/4885MTNR1B 2331/4885SLC9A5 2407/4885
US-20230150964-A1 HIGHLY PURIFIED PHARMACEUTICAL GRADE TASIMELTEON GMPS, TAS2R45, TAS2R10 SLC9A1 3196/4885MTNR1B 2331/4885SLC9A5 2407/4885
US-10611744-B2 Highly purified pharmaceutical grade tasimelteon GMPS, TAS2R45, TAS2R10 SLC9A1 3196/4885MTNR1B 2331/4885SLC9A5 2407/4885
US-10829465-B2 Highly purified pharmaceutical grade tasimelteon GMPS, TAS2R45, TAS2R10 SLC9A1 3196/4885MTNR1B 2331/4885SLC9A5 2407/4885

“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.