SCHEMBL5551241

SCHEMBL5551241

O=C(NC1CCC(NC(=O)c2cc(F)cnc2OC2CCSCC2)CC1)c1cc(Cl)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.54
PDE4D Q08499 2/20 0.54
PDE4A P27815 1/20 0.54
CRHR1 P34998 2/20 0.41
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
P2RX1 P51575 2/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
MCHR1 Q99705 1/20 0.38
EPHX2 P34913 1/20 0.38
IP6K1 Q92551 1/20 0.38
CRHR2 Q13324 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL5552570 0.93 PDE4B (0.48) PDE4BPDE4DPDE4ACRHR1HPGD
SCHEMBL5547933 0.92 PDE4B (0.55) PDE4BPDE4DPDE4ACRHR1HPGD
SCHEMBL13929105 0.88 PDE4B (0.50) PDE4BPDE4DPDE4AHPGDALDH1A1
SCHEMBL8303245 0.88 PDE4B (0.50) PDE4BPDE4DPDE4AHPGDALDH1A1
SCHEMBL4182884 0.88 PDE4B (0.50) PDE4BPDE4DPDE4AHPGDALDH1A1
SCHEMBL14614783 0.87 PDE4A (0.51) PDE4BPDE4DPDE4ACRHR1EPHX2
SCHEMBL5551338 0.87 PDE4A (0.51) PDE4BPDE4DPDE4ACRHR1EPHX2
SCHEMBL6013713 0.87 PDE4B (0.44) PDE4BPDE4DPDE4ACRHR1HPGD
SCHEMBL4192004 0.86 PDE4B (0.41) PDE4BPDE4DPDE4ACRHR1HPGD
SCHEMBL5546898 0.85 PDE4B (0.47) PDE4BPDE4DPDE4AHPGDTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050043326-A1 Compounds PFIZER INC 2005-02-24 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 (2 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-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 5/4885PDE4A 1/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT PDE4B 719/4885PDE4D 1102/4885PDE4A 1024/4885

“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.