SCHEMBL7616334

SCHEMBL7616334

COc1ccc(C(C#N)CCN2CCNC2=O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
ALDH1A1 P00352 10/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR1 P32246 2/20 0.39
ATM Q13315 1/20 0.37
GSK3B P49841 1/20 0.36
TNF P01375 1/20 0.36

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
SCHEMBL7314635 0.79 PDE4A (0.52) ACHEALDH1A1TSHRRAB9APDE4A
SCHEMBL7321801 0.76 PDE4B (0.46) ACHEALDH1A1TSHRRAB9APDE4A
SCHEMBL7314475 0.75 PDE4B (0.47) ALDH1A1PDE4BSMN1; SMN2L3MBTL1MEN1
SCHEMBL9650823 0.73 ACHE (0.49) ACHEALDH1A1TSHRRAB9APDE4A
SCHEMBL4281747 0.73 HSP90AA1 (0.56) ACHEALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL18344265 0.72 ALK (0.48) ALDH1A1MAPTATM
SCHEMBL6268670 0.72 PDE4A (0.52) ACHEALDH1A1TSHRRAB9APDE4A
SCHEMBL30147220 0.71 ACHE (0.53) ACHEALDH1A1TSHRRAB9APDE4A
SCHEMBL2191407 0.71 KMT2A (0.56) ALDH1A1SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL27659183 0.71 ACHE (0.47) ACHEALDH1A1TSHRRAB9APDE4A

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 5 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
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 ACHE 1469/4885ALDH1A1 351/4885TSHR 1387/4885

“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.