SCHEMBL611491

SCHEMBL611491

CCCN(CCC)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(OC)nn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 5/20 0.56
ALB P02768 2/20 0.53
OPRK1 P41145 2/20 0.53
KCNH2 Q12809 2/20 0.53
NR1I2 O75469 1/20 0.53
ABCB11 O95342 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA1 P30542 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
PDE4D Q08499 1/20 0.53
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
CHRM1 P11229 1/20 0.47
GABRA1 P14867 1/20 0.47
HPGD P15428 1/20 0.47
GABRB1 P18505 1/20 0.47

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
SCHEMBL612288 0.95 TSPO (0.50) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL612773 0.93 TSPO (0.65) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL611317 0.92 TSPO (0.54) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL611162 0.92 GABRA2 (0.59) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL612673 0.92 TSPO (0.53) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL611524 0.92 TSPO (0.58) TSPOALBOPRK1KCNH2GABRA2
SCHEMBL610226 0.88 TSPO (0.59) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL611953 0.87 TSPO (0.57) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL610058 0.87 TSPO (0.48) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL611997 0.87 TSPO (0.48) TSPOALBOPRK1KCNH2NR1I2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040979-A1 IMIDAZO[1,2-B]PYRIDAZINES, PROCESSES, USES, INTERMEDIATES AND COMPOSITIONS FALCO JOSE LUIS (ES) 2012-02-16 US claimed
EP-2010536-B1 IMIDAZO [1, 2-B]PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS FERRER INT (ES) 2010-06-16 EP claimed
US-20090176788-A1 Imidazo[1,2-B]Pyridazines, Processes, Uses, Intermediates and Compositions FERRER INTERNACIONAL, S.A. (ES) 2009-07-09 US claimed
EP-2010536-A1 IMIDAZO [1, 2-B]PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS Ferrer Internacional, S.A. (ES) 2009-01-07 EP claimed
EP-1845098-A1 Imidazo[1,2-b]pyridazines, their processes of preparation and their use as GABA receptor ligands FERRER INTERNACIONAL, S.A. (ES) 2007-10-17 EP claimed
WO-2007110437-A1 IMIDAZO [1, 2-B] PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS FERRER INTERNACIONAL, S.A. (ES) 2007-10-04 WO claimed
US-8993562-B2 Imidazo[1,2-b]pyridazines, processes, uses, intermediates and compositions FERRER INTERNACIONAL, S.A. (ES) 2015-03-31 US disclosed
US-8153789-B2 Imidazo[1,2-b]pyridazines, processes, uses, intermediates and compositions FERRER INTERNACIONAL, S.A. (ES) 2012-04-10 US disclosed
US-20120040979-A1 IMIDAZO[1,2-B]PYRIDAZINES, PROCESSES, USES, INTERMEDIATES AND COMPOSITIONS FALCO JOSE LUIS (ES) 2012-02-16 US disclosed
EP-2010536-B1 IMIDAZO [1, 2-B]PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS FERRER INT (ES) 2010-06-16 EP disclosed
US-20090176788-A1 Imidazo[1,2-B]Pyridazines, Processes, Uses, Intermediates and Compositions FERRER INTERNACIONAL, S.A. (ES) 2009-07-09 US disclosed
EP-2010536-A1 IMIDAZO [1, 2-B]PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS Ferrer Internacional, S.A. (ES) 2009-01-07 EP disclosed
EP-1845098-A1 Imidazo[1,2-b]pyridazines, their processes of preparation and their use as GABA receptor ligands FERRER INTERNACIONAL, S.A. (ES) 2007-10-17 EP disclosed
WO-2007110437-A1 IMIDAZO [1, 2-B] PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS FERRER INTERNACIONAL, S.A. (ES) 2007-10-04 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 (2 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-20090176788-A1 Imidazo[1,2-B]Pyridazines, Processes, Uses, Intermediates and Compositions GABRA5, GABRA1, GABRA2 TSPO 140/4885ALB 1612/4885OPRK1 128/4885
US-20120040979-A1 IMIDAZO[1,2-B]PYRIDAZINES, PROCESSES, USES, INTERMEDIATES AND COMPOSITIONS GABRA5, GABRA1, GABRA2 TSPO 140/4885ALB 1612/4885OPRK1 128/4885

“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.