SCHEMBL5768960

SCHEMBL5768960

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(F)cnc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.50
USP30 Q70CQ3 3/20 0.49
THRB P10828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.47
EPHX1 P07099 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL4191215 0.85 HPGD (0.44) L3MBTL1KMT2A
SCHEMBL8353152 0.85 HPGD (0.44) L3MBTL1KMT2A
SCHEMBL5840688 0.85 HPGD (0.44) L3MBTL1KMT2A
SCHEMBL5747378 0.85 HPGDS (0.45) EPHX1KMT2A
SCHEMBL27628702 0.84 SSTR4 (0.46) TP53LMNA
SCHEMBL6064154 0.84 CHRM1 (0.43)
SCHEMBL6064158 0.84 CHRM1 (0.43)
SCHEMBL6063161 0.82 PDE4A (0.52) TP53LMNAPOLBUSP30THRB
SCHEMBL27609552 0.81 NPC1 (0.46) LMNAKMT2A
SCHEMBL31171376 0.81 POLB (0.52) TP53LMNAPOLBUSP30THRB

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 15 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
EP-1651635-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP 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
WO-2005009989-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009989-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-01-27 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-2003068233-A1 NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES PFIZER LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068233-A1 NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES PFIZER LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068235-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2003-08-21 WO 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 (5 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 TP53 4432/4885LMNA 1824/4885POLB 1006/4885
US-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4D TP53 4799/4885LMNA 312/4885POLB 903/4885
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases NNT, IL5, NOX5 TP53 4656/4885LMNA 3417/4885POLB 3485/4885
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C TP53 4432/4885LMNA 1824/4885POLB 1006/4885
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C TP53 4432/4885LMNA 1824/4885POLB 1006/4885

“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.