SCHEMBL2586786

SCHEMBL2586786

Brc1ccc2nc(-c3ccc(CN4CCCCC4)cc3)oc2c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ GPR119 Q8TDV5 2/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ TLR9 Q9NR96 3/20 0.53
▸ TLR7 Q9NYK1 2/20 0.53
▸ HRH4 Q9H3N8 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ MAOB P27338 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
SCHEMBL2590290 0.79 NPC1 (0.50) NPC1RAB9AGPR119HDAC6
SCHEMBL2584790 0.79 GPR119 (0.67) GPR119HDAC6
SCHEMBL23387567 0.78 NPC1 (0.59) NPC1RAB9AHDAC6
SCHEMBL2245678 0.78 NPC1 (1.00) NPC1RAB9AGPR119HDAC6
SCHEMBL26686912 0.78 NPC1 (0.64) NPC1RAB9AGPR119HDAC6
SCHEMBL19029290 0.74 HDAC6 (0.98) NPC1RAB9AHDAC6
SCHEMBL21352568 0.74 HDAC6 (1.00) NPC1RAB9AHDAC6
SCHEMBL25625025 0.73 HDAC6 (0.59) HDAC6TLR9TLR7MAOB
SCHEMBL2582987 0.73 ESR2 (0.76) NPC1RAB9AGPR119HDAC6
SCHEMBL2582851 0.73 NPC1 (0.63) NPC1RAB9AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566864-B1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 — — EP disclosed
US-8772323-B2 Benzoxazole- and tetrahydrobenzoxazole-substituted pyridazinones as GPR119 agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 — — US disclosed
US-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 — — US disclosed
EP-2566864-A2 PYRIDAZINONES AS GPR119 AGONISTS Boehringer Ingelheim International GmbH (DE) 2013-03-13 — — EP disclosed
WO-2011138427-A2 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 — — 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-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS GPR65, GPR119, GPR55 NPC1 2612/4885RAB9A 1318/4885GPR119 2/4885

“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.

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