SCHEMBL6063963

SCHEMBL6063963

COC(=O)C1CCC(NC(=O)c2cc(F)cnc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
CRHR1 P34998 4/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RIPK2 O43353 1/20 0.39
P2RX7 Q99572 1/20 0.39
CFTR P13569 1/20 0.39
OPRK1 P41145 1/20 0.39
TYK2 P29597 1/20 0.39
HTR4 Q13639 1/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL8349012 1.00 HPGD (0.46) HPGDPDE4APDE4BPDE4DIRAK4
SCHEMBL5819954 0.86 HPGD (0.49) HPGDPDE4APDE4BPDE4DCRHR1
SCHEMBL8352231 0.85 HPGD (0.50) HPGDPDE4APDE4BPDE4DCRHR1
SCHEMBL5781350 0.84 GAA (0.45) HPGDPDE4APDE4BPDE4DCRHR1
SCHEMBL5781345 0.84 GAA (0.45) HPGDPDE4APDE4BPDE4DCRHR1
SCHEMBL8353042 0.84 HPGD (0.51) HPGDPDE4APDE4BPDE4DCRHR1
SCHEMBL5778940 0.84 HPGD (0.51) HPGDPDE4APDE4BPDE4DIRAK4
SCHEMBL5778937 0.84 HPGD (0.51) HPGDPDE4APDE4BPDE4DIRAK4
SCHEMBL5841319 0.83 SMYD3 (0.52) HPGDCRHR1RAB9ANPC1SMN1; SMN2
SCHEMBL5841315 0.83 SMYD3 (0.52) HPGDCRHR1RAB9ANPC1SMN1; SMN2

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
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
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

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 HPGD 32/4885PDE4A 1/4885PDE4B 2/4885
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases NNT, IL5, NOX5 HPGD 187/4885PDE4A 69/4885PDE4B 74/4885
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C HPGD 32/4885PDE4A 1/4885PDE4B 2/4885
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C HPGD 32/4885PDE4A 1/4885PDE4B 2/4885

“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.