SCHEMBL4165472

SCHEMBL4165472

NCC1=CCCC(Cc2c[nH]c(=S)[nH]2)C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC22A4 Q9H015 1/20 0.33

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
SCHEMBL4176139 0.86 SLC22A4 (0.35) SLC22A4
Alcohol SCHEMBL4168131 0.83 SLC22A4 (0.36) SLC22A4
SCHEMBL13778550 0.78 SLC22A4 (0.34) SLC22A4
SCHEMBL1339411 0.70 SLC22A4 (0.35) SLC22A4
SCHEMBL4767936 0.69
SCHEMBL1339493 0.68 CYP19A1 (0.48) SLC22A4
SCHEMBL12663292 0.67 NOS3 (0.37)
SCHEMBL14625844 0.63
SCHEMBL1341654 0.61 SLC22A4 (0.31) SLC22A4
SCHEMBL7579122 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230404979-A1 ALPHA-2 ADRENERGIC RECEPTOR AGONISTS TO REDUCE MORTALITY AND IMPROVE OUTCOMES IN VIRAL RESPIRATORY SYNDROMES RUSH UNIVERSITY MEDICAL CENTER (US) 2023-12-21 US claimed
EP-4031000-A1 SYSTEMS AND METHODS FOR DETECTION AND PREVENTION OF EMERGENCE OF AGITATION Bioxcel Therapeutics, Inc. (US) 2022-07-27 EP claimed
US-20220202373-A1 SYSTEMS AND METHODS OF USING MACHINE LEARNING TO DETECT AND PREDICT EMERGENCE OF AGITATION BASED ON SYMPATHETIC NERVOUS SYSTEM ACTIVITIES BIOXCEL THERAPEUTICS, INC. (US) 2022-06-30 US claimed
CN-114667095-A System and method for detecting and preventing irritability occurrences 比奥克斯塞尔医疗股份有限公司 2022-06-24 CN claimed
WO-2022093767-A1 ALPHA-2 ADRENERGIC RECEPTOR AGONISTS TO REDUCE MORTALITY AND IMPROVE OUTCOMES IN VIRAL RESPIRATORY SYNDROMES RUSH UNIVERSITY MEDICAL CENTER (US) 2022-05-05 WO claimed
US-7390829-B2 Alpha-2 adrenergic agonists ALLERGAN, INC. (US) 2008-06-24 US claimed
US-20070004789-A1 Alpha-2adrenergic agonists ALLERGAN, INC. 2007-01-04 US claimed
US-20250325521-A1 USE OF SUBLINGUAL DEXMEDETOMIDINE FOR THE TREATMENT OF AGITATION BIOXCEL THERAPEUTICS INC (US) 2025-10-23 US disclosed
US-20240252470-A1 USE OF SUBLINGUAL DEXMEDETOMIDINE FOR THE TREATMENT OF AGITATION OAKTREE FUND ADMINISTRATION, LLC 2024-08-01 US disclosed
EP-4371554-A2 USE OF SUBLINGUAL DEXMEDETOMIDINE FOR THE TREATMENT OF AGITATION BioXcel Therapeutics, Inc. (US) 2024-05-22 EP disclosed
EP-4368169-A2 USE OF SUBLINGUAL DEXMEDETOMIDINE FOR THE TREATMENT OF AGITATION Bioxcel Therapeutics, Inc. (US) 2024-05-15 EP disclosed
US-11931340-B2 Use of sublingual dexmedetomidine for the treatment of agitation BIOXCEL THERAPEUTICS, INC. (US) 2024-03-19 US disclosed
EP-3562486-B1 USE OF SUBLINGUAL DEXMEDETOMIDINE FOR THE TREATMENT OF AGITATION BIOXCEL THERAPEUTICS INC (US) 2024-03-13 EP disclosed
US-7390829-B2 Alpha-2 adrenergic agonists ALLERGAN, INC. (US) 2008-06-24 US disclosed
WO-2007005177-A1 ALPHA-2 ADRENERGIC AGONISTS FOR THE TREATMENT OF PAIN ALLERGAN, INC. (US) 2007-01-11 WO disclosed
WO-2007005174-A2 4- (3 -HYDROXY- AND 3-AMINOMETHYL-CYCLOHEXEN-3-YLMETHYL) 1, 3-DIHYDROIMDAZOLE-2-THIONE DERIVATIVES AS ALPHA-2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2007-01-11 WO disclosed
WO-2007005174-A2 4- (3 -HYDROXY- AND 3-AMINOMETHYL-CYCLOHEXEN-3-YLMETHYL) 1, 3-DIHYDROIMDAZOLE-2-THIONE DERIVATIVES AS ALPHA-2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2007-01-11 WO disclosed
US-20070004789-A1 Alpha-2adrenergic agonists ALLERGAN, INC. 2007-01-04 US disclosed
US-20070004789-A1 Alpha-2adrenergic agonists ALLERGAN, INC. 2007-01-04 US disclosed
US-20070004789-A1 Alpha-2adrenergic agonists ALLERGAN, INC. 2007-01-04 US 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 (1 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-20070004789-A1 Alpha-2adrenergic agonists ADRA2A, ADRB2, ADRA2C SLC22A4 1459/4885

“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.