SCHEMBL7314635

SCHEMBL7314635

COc1ccc(C(CC#N)CN2CCNC2=O)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.52
PDE4B Q07343 3/20 0.52
PDE4C Q08493 3/20 0.52
PDE4D Q08499 3/20 0.52
ACHE P22303 3/20 0.44
ALDH1A1 P00352 7/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TNF P01375 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
SCHEMBL7321801 0.83 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL7314475 0.81 PDE4B (0.47) PDE4BALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL7616334 0.79 ACHE (0.46) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL2191407 0.72 KMT2A (0.56) ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL4825001 0.70 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL4281747 0.69 HSP90AA1 (0.56) ACHEALDH1A1HTTKDM4ELMNA
SCHEMBL11646925 0.69 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL18344265 0.69 ALK (0.48) ALDH1A1MAPT
SCHEMBL6157272 0.69 PDE4B (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6157282 0.69 PDE4B (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1

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-6403805-B1 SUCH AS 1-((1-(3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL) CYCLOPROPYL)METHYL)-1,3-DIHYDRO-2H-IMIDAZOL-2-ONE FOR ALLERGIES, ATOPIC AND INFLAMMATORY DISEASES WHEREIN ACTIVITY OF PHOSPHODIESTERASE IS ALTERED JANSSEN PHARMACEUTICA N.V. (BE) 2002-06-11 US disclosed
US-20020068830-A1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2002-06-06 US disclosed
EP-0819122-B1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES HAVING PDEIV AND CYTOKINE ACTIVITY JANSSEN PHARMACEUTICA NV (BE) 2002-03-06 EP disclosed
US-5994376-A PHOSPHODIESTERASE INHIBITOR JANSSEN PHARMACEUTICA, N.V. (BE) 1999-11-30 US disclosed
EP-0819122-A1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES HAVING PDEIV AND CYTOKINE ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 1998-01-21 EP disclosed
WO-1996031485-A1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES HAVING PDEIV AND CYTOKINE ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 1996-10-10 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 (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-20020068830-A1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES HRH2, CBR1, HRH1 PDE4A 31/4885PDE4B 71/4885PDE4C 60/4885

“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.