SCHEMBL4186405

SCHEMBL4186405

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(Cl)cnc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.52
MCHR1 Q99705 1/20 0.46
BTK Q06187 2/20 0.42
JAK3 P52333 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
PBK Q96KB5 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 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
SCHEMBL8297682 1.00 CRHR1 (0.52) CRHR1MCHR1BTKJAK3IRAK4
SCHEMBL8297689 0.89 CRHR1 (0.44) CRHR1BTKJAK3IRAK4PBK
SCHEMBL4191377 0.89 CRHR1 (0.44) CRHR1BTKJAK3IRAK4PBK
SCHEMBL5840688 0.88 HPGD (0.44) CRHR1BTKJAK3IRAK4PBK
SCHEMBL4191215 0.88 HPGD (0.44) CRHR1BTKJAK3IRAK4PBK
SCHEMBL8353152 0.88 HPGD (0.44) CRHR1BTKJAK3IRAK4PBK
SCHEMBL1031100 0.86 CRHR1 (0.60) CRHR1MCHR1
SCHEMBL4186958 0.82 CACNB4 (0.42) CRHR1BTKIRAK4
SCHEMBL13929049 0.82 CACNB4 (0.42) CRHR1BTKIRAK4
SCHEMBL21161737 0.82 HPGD (0.46) BTKPBKKDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 US disclosed
US-7056934-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2006-06-06 US disclosed
EP-1654234-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-10 EP disclosed
US-20050043326-A1 Compounds PFIZER INC 2005-02-24 US disclosed
US-20050038033-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-02-17 US disclosed
WO-2005009965-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020611-A1 Compounds 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 (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-20050020611-A1 Compounds NQO1, NAMPT, NNT CRHR1 2864/4885MCHR1 3471/4885BTK 3756/4885
US-20050038033-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C CRHR1 3998/4885MCHR1 3955/4885BTK 3672/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C CRHR1 4175/4885MCHR1 4280/4885BTK 3477/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT CRHR1 2864/4885MCHR1 3471/4885BTK 3756/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT CRHR1 2864/4885MCHR1 3471/4885BTK 3756/4885

“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.