SCHEMBL4762027

SCHEMBL4762027

CCc1cccc(CC)c1NC1=NCCN1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.64
ADRA2C P18825 13/20 0.59
ADRA2A P08913 12/20 0.59
ADRA2B P18089 12/20 0.59
ADRA1A P35348 4/20 0.59
ADRA1D P25100 3/20 0.59
ADRA1B P35368 3/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 1/20 0.59
SLC22A1 O15245 1/20 0.59
SLC22A3 O75751 1/20 0.59
HTR1A P08908 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
HRH2 P25021 1/20 0.59
CYP2C19 P33261 1/20 0.59
OPRK1 P41145 1/20 0.59
KMT2A Q03164 1/20 0.59
HIF1A Q16665 1/20 0.59
SLC47A1 Q96FL8 1/20 0.59

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 SCHEMBL11769742 0.98 HTR1D (0.62) HTR1DADRA2CADRA2AADRA2BADRA1A
SCHEMBL4761139 0.91 HTR1D (0.75) HTR1DADRA2CADRA2AADRA2BADRA1A
SCHEMBL9069376 0.82 CFB (0.51) HTR1DADRA2CADRA2AADRA2BADRA1A
SCHEMBL9070164 0.81 HTR1D (0.56) HTR1DADRA2CADRA2AADRA2BADRA1A
SCHEMBL29374579 0.78 ADRA2C (0.65) HTR1DADRA2CADRA2AADRA2BADRA1A
SCHEMBL4760243 0.78 HTR1D (1.00) HTR1DADRA2CADRA2AADRA2BADRA1A
SCHEMBL11218999 0.78 TAAR1 (0.50) HTR1DADRA2CADRA2AADRA2BADRA1A
Clonidine SCHEMBL18050245 0.77 ADRA2A (0.82) HTR1DADRA2CADRA2AADRA2BADRA1A
Hydrochloric Acid SCHEMBL29384552 0.77 HTR1D (0.97) HTR1DADRA2CADRA2AADRA2BADRA1A
SCHEMBL7087068 0.77 HTR1D (0.45) HTR1DADRA2CADRA2AADRA2BADRA1A

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 163 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
CN-116004627-A miRNA, method for detecting and regulating secondary growth rate of mangrove plants, detection kit and application of detection kit 广东海洋大学 2023-04-25 CN 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
CN-101370500-A Use of 2-imidazoles for the treatment of CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-18 CN claimed
EP-1981498-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-la Roche AG (CH) 2008-10-22 EP claimed
US-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US claimed
WO-2007090720-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO claimed
EP-0086428-B1 ANTIDIARRHOEA VETERINARY COMPOSITION, ITS PRODUCTION AND ORAL DOSER CONTAINING IT BEECHAM GROUP PLC (GB) 1987-07-29 EP claimed
EP-0025269-B1 ANTI-DIARRHOEA VETERINARY COMPOSITION BEECHAM GROUP PLC (GB) 1985-11-13 EP claimed
US-3969525-A 2-(2',6'-DIETHYLPHENYL-AMINO)-1,3-DIAZACYCLOPENTENE(2) BOEHRINGER INGELHEIM GMBH (DT) 1976-07-13 US claimed
CN-122091550-A High-performance lithium ion battery anode material Si@void@C@NC and preparation method thereof 2026-05-26 CN disclosed
CN-122055137-A Nanoparticles and formulations thereof for delivery of therapeutic agents throughout the central nervous system 伊莱利利公司 2026-05-15 CN disclosed
CN-122010746-A Method for preparing aromatic amide by heterogeneous reductive amidation of nitroaromatic hydrocarbon 中国科学院大连化学物理研究所 2026-05-12 CN disclosed
WO-1989011851-A1 TREATMENT OF INFLAMMATORY DISEASES, IN PARTICULAR RHEUMATOID ARTHRITIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1989-12-14 WO disclosed
US-4025607-A ANALGESICS, HYPOTENSIVES BOEHRINGER INGELHEIM GMBH (DT) 1977-05-24 US disclosed
US-3969525-A 2-(2',6'-DIETHYLPHENYL-AMINO)-1,3-DIAZACYCLOPENTENE(2) BOEHRINGER INGELHEIM GMBH (DT) 1976-07-13 US disclosed
US-3969525-A 2-(2',6'-DIETHYLPHENYL-AMINO)-1,3-DIAZACYCLOPENTENE(2) BOEHRINGER INGELHEIM GMBH (DT) 1976-07-13 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-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives CRY1, HTR2C, PER2 HTR1D 52/4885ADRA2C 15/4885ADRA2A 47/4885

“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.