SCHEMBL6063583

SCHEMBL6063583

O=C(NC1CCC(C(=O)O)CC1)c1cccnc1Oc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.58
CNR1 P21554 5/20 0.58
KMT2A Q03164 1/20 0.57
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL8352815 1.00 CNR2 (0.58) CNR2CNR1KMT2APDE4APDE4B
SCHEMBL8352785 0.88 CNR1 (0.59) CNR2CNR1KMT2APDE4APDE4B
SCHEMBL8351097 0.88 CNR1 (0.59) CNR2CNR1KMT2APDE4APDE4B
Hydrochloric Acid SCHEMBL6063567 0.87 CNR1 (0.58) CNR2CNR1KMT2APDE4APDE4B
SCHEMBL6063263 0.87 CNR1 (0.58) CNR2CNR1KMT2APDE4APDE4B
SCHEMBL5839447 0.86 CNR2 (0.50) CNR2CNR1L3MBTL1
SCHEMBL5839441 0.86 CNR2 (0.50) CNR2CNR1L3MBTL1
SCHEMBL6063424 0.85 CNR2 (0.59) CNR2CNR1KMT2A
SCHEMBL8352455 0.85 CNR2 (0.59) CNR2CNR1KMT2A
SCHEMBL8352461 0.85 PDE4B (0.59) CNR2CNR1PDE4APDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060717-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2006-06-13 US disclosed
US-20060014780-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2006-01-19 US disclosed
US-6949573-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2005-09-27 US disclosed
EP-1476158-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2004-11-17 EP disclosed
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2004-11-11 US disclosed
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases PFIZER INC. 2003-11-27 US disclosed
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2003-11-27 US disclosed
WO-2003068235-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2003-08-21 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 (4 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-20060014780-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C CNR2 1090/4885CNR1 1648/4885KMT2A 2770/4885
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases NNT, IL5, NOX5 CNR2 284/4885CNR1 576/4885KMT2A 2623/4885
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C CNR2 1090/4885CNR1 1648/4885KMT2A 2770/4885
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C CNR2 1090/4885CNR1 1648/4885KMT2A 2770/4885

“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.