SCHEMBL14909922

SCHEMBL14909922

CC(C)(C)OC(=O)NC1CCN(C(=O)OCc2ccccc2)CC1N=[N+]=[N-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ CYP2C19 P33261 1/20 0.43
▸ CTSK P43235 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ PARP1 P09874 1/20 0.40

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
SCHEMBL14909923 1.00 PDE4B (0.49) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL14928715 1.00 PDE4B (0.49) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL14911220 0.94 PDE4B (0.51) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL15081385 0.94 PDE4B (0.51) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL13932869 0.93 HSD11B1 (0.45) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL28685874 0.93 HSD11B1 (0.45) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL13709075 0.93 HSD11B1 (0.45) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL16668223 0.93 HSD11B1 (0.45) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL16668130 0.93 HSD11B1 (0.45) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL13864913 0.93 HSD11B1 (0.45) PDE4BSMN1; SMN2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 — — EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8772320-B2 — — 2014-07-08 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — 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 (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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK PDE4B 1256/4885SMN1; SMN2 2190/4885NPC1 1367/4885

“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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