SCHEMBL2643623

SCHEMBL2643623

c1[nH]nnc1CCCN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.41
HRH4 Q9H3N8 6/20 0.41
HRH1 P35367 3/20 0.40
LTA4H P09960 1/20 0.39
CTSK P43235 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
MPO P05164 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL2643825 0.89 HRH3 (0.42) HRH3HRH4SIGMAR1L3MBTL1
SCHEMBL4247408 0.88 CYP1A2 (0.43) HRH3HRH4SIGMAR1L3MBTL1
SCHEMBL34468097 0.87 NOS3 (0.48) HRH3HRH4CTSKKCNH2SIGMAR1
SCHEMBL2644533 0.87 SIGMAR1 (0.49) HRH3HRH1SIGMAR1L3MBTL1
SCHEMBL4678193 0.87 NOS3 (0.33) SIGMAR1
SCHEMBL2644215 0.85 SIGMAR1 (0.47) HRH3KCNH2SIGMAR1
SCHEMBL935277 0.78 HRH3 (0.39) HRH3HRH4L3MBTL1
SCHEMBL1968524 0.77 HRH3 (0.42) HRH3HRH4L3MBTL1
SCHEMBL2644874 0.76 SIGMAR1 (0.41) HRH3HRH1LTA4HKCNH2SIGMAR1
SCHEMBL1906096 0.75 SIGMAR1 (0.41) HRH3KCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121361-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2007-08-29 EP disclosed
US-6872720-B2 Pyrazolo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. 2005-03-29 US disclosed
US-6730676-B2 CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS MERCK SHARP & DOHME LTD. 2004-05-04 US disclosed
US-6730681-B2 ANXIOLYTIC AGENTS AND ANTICONVULSANTS MERCK SHARP & DOHME LTD. 2004-05-04 US disclosed
US-6699859-B1 TREATMENT OF ANXIETY AND CONVULSIONS. MERCK SHARP & DOHME LTD. (GB) 2004-03-02 US disclosed
EP-1212324-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-10-29 EP disclosed
EP-1049697-B1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-09-17 EP disclosed
US-6608062-B1 Ligands for gamma-aminobutyric acid receptors; treatment and/or prevention of central nervous system disorders, including anxiety MERCK SHARP & DOHME LTD. 2003-08-19 US disclosed
US-6593325-B1 Method for the treatment of anxiety which comprises administering to a patient in need of such treatment an effective amount of the compound of claim 1 or a pharmaceutically acceptable salt thereof. MERCK SHARP & DOHME LTD. (GB) 2003-07-15 US disclosed
US-20030073717-A1 Triazolo-pyridine derivatives as ligands for GABA receptors MERCK & CO., INC. 2003-04-17 US disclosed
WO-2000012505-A2 TRIAZOLOPYRIDAZINE DERIVATIVES FOR TREATING ANXIETY AND ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 2000-03-09 WO disclosed
WO-1999065907-A1 TRIAZOLO-PYRIMIDINES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-12-23 WO disclosed
WO-1999065904-A1 TRIAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-12-23 WO disclosed
WO-1999037646-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
WO-1999037645-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
WO-1999037649-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
WO-1999036423-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-22 WO disclosed
WO-1999025353-A1 THERAPEUTIC USES OF TRIAZOLO-PYRIDAZINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1999-05-27 WO disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 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 (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-20030073717-A1 Triazolo-pyridine derivatives as ligands for GABA receptors GABRA3, GABRA4, GABRA5 HRH3 106/4885HRH4 132/4885HRH1 218/4885

“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.