SCHEMBL5747378

SCHEMBL5747378

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
MCHR1 Q99705 1/20 0.44
NPY5R Q15761 2/20 0.43
HPGD P15428 2/20 0.43
OPRL1 P41146 2/20 0.42
SSTR4 P31391 1/20 0.42
PDE4B Q07343 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
NTRK1 P04629 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRK1 P41145 1/20 0.41
EPHX2 P34913 2/20 0.41
EPHX1 P07099 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
SCHEMBL5768960 0.85 TP53 (0.51) KMT2AEPHX1
SCHEMBL8352231 0.83 HPGD (0.50) MCHR1HPGDPDE4B
SCHEMBL3174715 0.82 NPC1 (0.58) HPGDKMT2AOPRK1
SCHEMBL8353042 0.81 HPGD (0.51) MCHR1HPGDPDE4B
SCHEMBL5778940 0.81 HPGD (0.51) IRAK4HPGDPDE4BNTRK1
SCHEMBL5778937 0.81 HPGD (0.51) IRAK4HPGDPDE4BNTRK1
SCHEMBL8296522 0.81 HPGD (0.48) HPGDNTRK1
SCHEMBL27628702 0.81 SSTR4 (0.46) IRAK4MCHR1HPGDSSTR4PDE4B
SCHEMBL5841315 0.80 SMYD3 (0.52) HPGD
SCHEMBL5841319 0.80 SMYD3 (0.52) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651635-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP 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

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-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4D HPGDS 1004/4885IRAK4 1381/4885MCHR1 4582/4885

“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.