SCHEMBL5348016

SCHEMBL5348016

OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.77
HPGD P15428 4/20 0.75
GABRA1 P14867 5/20 0.70
GABRA5 P31644 5/20 0.70
GABRA2 P47869 5/20 0.70
GABRB2 P47870 4/20 0.70
GABRA3 P34903 3/20 0.70
BRD4 O60885 2/20 0.70
LMNA P02545 2/20 0.70
CNR1 P21554 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.67
RECQL P46063 1/20 0.67
KDM4E B2RXH2 1/20 0.66
PDE4D Q08499 3/20 0.58
TDP1 Q9NUW8 1/20 0.55
GABRG2 P18507 2/20 0.54
GABRB3 P28472 2/20 0.54
ADRA1A P35348 2/20 0.54
HTR2A P28223 1/20 0.54
GABRP O00591 1/20 0.52

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
Perchlorate SCHEMBL11084792 0.96 OPRK1 (0.71) OPRK1HPGDGABRA1GABRA5GABRA2
Acetic Acid SCHEMBL10404825 0.95 OPRK1 (0.73) OPRK1HPGDGABRA1GABRA5GABRA2
Propionic Acid SCHEMBL10404824 0.93 OPRK1 (0.70) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL11075404 0.91 OPRK1 (0.74) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL10738545 0.90 OPRK1 (0.78) OPRK1HPGDGABRA1GABRA5GABRA2
Valeric Acid SCHEMBL10404748 0.89 OPRK1 (0.65) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL7326170 0.89 OPRK1 (0.77) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL7321230 0.89 OPRK1 (0.80) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL11079877 0.89 OPRK1 (0.77) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL10732708 0.89 OPRK1 (0.77) OPRK1HPGDGABRA1GABRA5GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240230633-A1 ENZYME-CONJUGATED MAGNETIC BEADS SUSPENDED IN INTERNAL STANDARD BUFFER DH TECHNOLOGIES DEV PTE LTD (SG) 2024-07-11 US claimed
WO-2022248979-A1 ENZYME-CONJUGATED MAGNETIC BEADS SUSPENDED IN INTERNAL STANDARD BUFFER DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2022-12-01 WO claimed
WO-2016040822-A1 READY-TO-CONSTITUTE ANALYTICAL PLATFORMS FOR CHEMICAL ANALYSES AND QUANTIFICATION PINPOINT TESTING, LLC (US) 2016-03-17 WO claimed
JP-2007525670-A 2007-09-06 JP claimed
EP-1718971-A2 SYSTEM AND METHOD FOR REAL-TIME DIAGNOSIS, TREATMENT, AND THERAPEUTIC DRUG MONITORING UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2006-11-08 EP claimed
WO-2005098429-A2 SYSTEM AND METHOD FOR REAL-TIME DIAGNOSIS, TREATMENT, AND THERAPEUTIC DRUG MONITORING UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2005-10-20 WO claimed
EP-1027609-A2 METHOD FOR DETERMINATION OF DRUGS OF ABUSE IN BIOLOGICAL SAMPLES Varian, Inc. (US) 2000-08-16 EP claimed
WO-1999022244-A2 METHOD FOR DETERMINATION OF DRUGS OF ABUSE IN BIOLOGICAL SAMPLES VARIAN, INC. (US) 1999-05-06 WO claimed
EP-0121375-B1 PROCESSES FOR PREPARING 1-(HYDROXYMETHYL)TRIAZOLOBENZODIAZEPINES AND 1-(AMINOMETHYL)TRIAZOLOBENZODIAZEPINES THE UPJOHN COMPANY (US) 1987-06-24 EP claimed
US-4588721-A Treatment of negative symptoms of schizophrenia THE UPJOHN COMPANY (US) 1986-05-13 US claimed
EP-0139460-A2 Benzodiazepines and their therapeutic use THE UPJOHN COMPANY (US) 1985-05-02 EP claimed
US-4501698-A REACTION WITH PARAFORMALDEHYDE, SULFONYL HALIDE, AMINO COMPOUND THE UPJOHN COMPANY (US) 1985-02-26 US claimed
US-4479959-A 8-CHLORO-1-/ HYDROXYMETHYL/ -6-PHENYL-4H-S-TRIAZOLO/4,3-ALL1,4/ BENZODIAZEPINE THE UPJOHN COMPANY (US) 1984-10-30 US claimed
EP-0121375-A1 Processes for preparing 1-(hydroxymethyl)triazolobenzodiazepines and 1-(aminomethyl)triazolobenzodiazepines THE UPJOHN COMPANY (US) 1984-10-10 EP claimed
US-4476134-A TRANQUILIZERS; NEUROLEPTIC AGENTS THE UPJOHN COMPANY (US) 1984-10-09 US claimed
US-4427590-A Triazolobenzodiazepine derivatives CIBA-GEIGY CORPORATION (US) 1984-01-24 US claimed
JP-5059058-A None JP disclosed
EP-4419255-A1 READY-TO-CONSTITUTE ANALYTICAL PLATFORMS FOR CHEMICAL ANALYSES AND QUANTIFICATION OF ANALYTES IN BIOLOGICAL SAMPLES Pinpoint Testing, LLC (US) 2024-08-28 EP disclosed
US-3941799-A 6-Substituted-11b-phenyl-3, 11bH-oxazirino[2,3-d]-s-triazol[4,3-a][1,4]benzodiazepines CIBA-GEIGY CORPORATION (US) 1976-03-02 US disclosed
US-3870706-A 6H-S-TRIAZOLO{8 4,3-a{9 {8 1,4{9 BENZODIAZEPIN-6-ONES CIBA GEIGY CORP 1975-03-11 US disclosed