SCHEMBL6063354

SCHEMBL6063354

CC(=O)Oc1cccc(OC2CCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
LMNA P02545 1/20 0.53
ACHE P22303 1/20 0.49
KMT2A Q03164 3/20 0.48
MTNR1A P48039 1/20 0.45
PARP10 Q53GL7 1/20 0.45
ACACB O00763 1/20 0.44
MEN1 O00255 2/20 0.43
KAT6A Q92794 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
EPHX2 P34913 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL3967321 0.81 KAT6A (0.51) KMT2APARP10MEN1KAT6AALDH1A1
SCHEMBL17028900 0.80 LMNA (0.76) CYP3A4LMNAACHEKMT2AMEN1
SCHEMBL249305 0.80 LMNA (0.76) CYP3A4LMNAACHEKMT2AMEN1
SCHEMBL3406197 0.80 ACHE (0.52) ACHEKMT2AMTNR1AACACBMEN1
SCHEMBL19381781 0.78 PARP10 (0.53) LMNAMTNR1APARP10ACACBALDH1A1
SCHEMBL12093641 0.78 SLC6A2 (0.63) CYP3A4ACHEALDH1A1EPHX2
SCHEMBL5799392 0.77 KAT6A (0.54) KMT2AMEN1KAT6AALDH1A1EPHX2
SCHEMBL31522974 0.77 CYP3A4 (0.53) CYP3A4LMNAACHEKMT2AMEN1
SCHEMBL9987286 0.77 KAT6A (0.54) KMT2AMEN1KAT6AALDH1A1EPHX2
SCHEMBL29177314 0.77 MEN1 (0.69) KMT2APARP10MEN1EPHX2HRH1

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 11 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-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 (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 CYP3A4 281/4885LMNA 1824/4885ACHE 1095/4885
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases NNT, IL5, NOX5 CYP3A4 568/4885LMNA 3417/4885ACHE 537/4885
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C CYP3A4 281/4885LMNA 1824/4885ACHE 1095/4885
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C CYP3A4 281/4885LMNA 1824/4885ACHE 1095/4885

“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.