SCHEMBL4285168

SCHEMBL4285168

COc1ccc(CCN2CCN(CCc3ccc(OC)c(OC)c3)C2=O)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.61
ALDH1A1 P00352 5/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
ACHE P22303 1/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 3/20 0.54
PAX8 Q06710 1/20 0.54
EBP Q15125 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
TMEM97 Q5BJF2 1/20 0.53
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
KCNH2 Q12809 1/20 0.53
GAA P10253 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL7315240 0.89 SIGMAR1 (0.57) HSP90AA1ALDH1A1ACHEMAPK1EBP
SCHEMBL4281747 0.82 HSP90AA1 (0.56) HSP90AA1ALDH1A1HTTSMN1; SMN2ACHE
SCHEMBL13988594 0.81 HSP90AA1 (0.55) HSP90AA1ALDH1A1HTTSMN1; SMN2ACHE
SCHEMBL9028169 0.79 SIGMAR1 (0.61) HSP90AA1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL10195155 0.79 HSP90AA1 (0.67) HSP90AA1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL12821148 0.77 POLB (0.59) HSP90AA1ALDH1A1HTTSMN1; SMN2ACHE
SCHEMBL14678150 0.76 HSP90AA1 (1.00) HSP90AA1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL16641094 0.75 CYP19A1 (0.77) HSP90AA1ALDH1A1KDM4EMAPT
SCHEMBL31157848 0.75 CYP19A1 (0.77) HSP90AA1ALDH1A1KDM4EMAPT
SCHEMBL27337543 0.75 SIGMAR1 (0.64) HSP90AA1EBPSIGMAR1TMEM97

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 16 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 claimed
US-20020068830-A1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2002-06-06 US claimed
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 claimed
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 claimed
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 claimed
US-8354434-B2 Cyclourea compounds as calcium channel blockers PURDUE PHARMA L.P. (US) 2013-01-15 US disclosed
US-20120322830-A1 Cyclourea Compounds as Calcium Channel Blockers PURDUE PHARMA L.P. (US) 2012-12-20 US disclosed
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers PURDUE PHARMA L.P. (US) 2009-07-09 US disclosed
EP-1987009-A1 CYCLOUREA COMPOUNDS AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2008-11-05 EP disclosed
WO-2007085357-A1 CYCLOUREA COMPOUNDS AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-02 WO disclosed
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 (3 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-20120322830-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D HSP90AA1 4513/4885ALDH1A1 4063/4885HTT 2479/4885
US-20020068830-A1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES HRH2, CBR1, HRH1 HSP90AA1 1713/4885ALDH1A1 351/4885HTT 3911/4885
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D HSP90AA1 4513/4885ALDH1A1 4063/4885HTT 2479/4885

“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.