SCHEMBL16563918

SCHEMBL16563918

CN1C(=O)CN(C(=O)Nc2cccc(CN3CCOCC3)n2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.45
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ CTSK P43235 1/20 0.40
▸ TRPV4 Q9HBA0 6/20 0.39
▸ THRB P10828 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL12654618 0.89 CNR2 (0.46) CNR2ALDH1A1LMNAMAPTHTT
SCHEMBL12959029 0.87 CNR2 (0.46) CNR2RAF1BRAF
SCHEMBL12958958 0.84 CNR2 (0.46) CNR2ALDH1A1LMNAMAPTHTT
SCHEMBL16563676 0.82 CNR1 (0.37) CNR2RAB9ACNR1
SCHEMBL12958986 0.81 SCN9A (0.39) CNR2SCN9ACNR1KMT2A
SCHEMBL16563324 0.79 PHGDH (0.45) CNR2CNR1
SCHEMBL16563448 0.79 KMO (0.41) CNR2SCN9ACNR1
SCHEMBL12958983 0.79 MPL (0.44) CNR2ALDH1A1SCN9ACNR1BRAF
SCHEMBL16563456 0.79 ALOX15 (0.46) CNR2SCN9ACNR1
SCHEMBL12654628 0.78 CA2 (0.42) CNR2CNR1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 — — EP claimed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 — — US claimed
EP-2848618-A1 NITROGENATED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-03-18 — — EP claimed
US-10017508-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-10 — — US disclosed
EP-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 — — EP disclosed
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-05-11 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 — — US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 — — US disclosed
EP-2848618-A1 NITROGENATED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-03-18 — — EP 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 (3 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A CNR2 693/4885ALDH1A1 492/4885LMNA 3391/4885
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A CNR2 693/4885ALDH1A1 492/4885LMNA 3391/4885
US-10017508-B2 Nitrogenated heterocyclic compound PDE2A, PDE5A, PDE3A CNR2 693/4885ALDH1A1 492/4885LMNA 3391/4885

“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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