SCHEMBL3629435

SCHEMBL3629435

O=c1[nH]ccn1CC=Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
ALDH3A1 P30838 1/20 0.43
RCE1 Q9Y256 1/20 0.43
MAPT P10636 3/20 0.40
PAM P19021 1/20 0.40
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
ALDH2 P05091 1/20 0.38
DUT P33316 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.37
CYP3A4 P08684 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GMNN O75496 1/20 0.37
ABCB11 O95342 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 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
SCHEMBL28003655 0.75 ALDH1A1 (0.46) ALDH1A1ALDH3A1RCE1MAPTPAM
SCHEMBL28003654 0.75 ALDH1A1 (0.46) ALDH1A1ALDH3A1RCE1MAPTPAM
SCHEMBL4101771 0.70 DBH (0.62) ALDH1A1HPGDTSHRPOLBCYP3A4
SCHEMBL11632469 0.70 ALDH1A1 (0.45) ALDH1A1ALDH3A1RCE1MAPTPAM
SCHEMBL175260 0.70
SCHEMBL12668379 0.70 ALDH1A1 (0.51) ALDH1A1ALDH3A1RCE1MAPTPAM
SCHEMBL11011183 0.70 ALDH1A1 (0.51) ALDH1A1ALDH3A1RCE1MAPTPAM
SCHEMBL23847348 0.66 ALDH1A1 (0.69) ALDH1A1ALDH3A1RCE1MAPTPAM
SCHEMBL10421306 0.66 ALDH1A1 (0.69) ALDH1A1ALDH3A1RCE1MAPTPAM
SCHEMBL10988258 0.65 OPRD1 (0.42) ALDH1A1ALDH3A1RCE1MAPTHPGD

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
CN-102725305-B Melanocortin-1 receptor-specific cyclic peptides 帕拉丁科技公司 2016-08-24 CN disclosed
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-7674811-B2 5-lipoxygenase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2010-03-09 US disclosed
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers PURDUE PHARMA L.P. (US) 2009-07-09 US disclosed
US-20080021080-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-01-24 US disclosed
EP-1834953-A1 Tetrahydropyrane derivatives as 5-lipoxygenase inhibitors Ranbaxy Laboratories Limited (IN) 2007-09-19 EP disclosed
US-6656959-B1 PDE IV inhibiting pyridine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-02 US disclosed
EP-1068194-B1 PDE IV INHIBITING PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-11-05 EP 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-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
US-5994376-A PHOSPHODIESTERASE INHIBITOR JANSSEN PHARMACEUTICA, N.V. (BE) 1999-11-30 US disclosed
US-5994376-A PHOSPHODIESTERASE INHIBITOR JANSSEN PHARMACEUTICA, N.V. (BE) 1999-11-30 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 (4 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 ALDH1A1 4063/4885ALDH3A1 2470/4885RCE1 896/4885
US-20020068830-A1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES HRH2, CBR1, HRH1 ALDH1A1 351/4885ALDH3A1 211/4885RCE1 1440/4885
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D ALDH1A1 4063/4885ALDH3A1 2470/4885RCE1 896/4885
US-20080021080-A1 5-LIPOXYGENASE INHIBITORS ALOX5, ALOX15B, ALOX15 ALDH1A1 210/4885ALDH3A1 357/4885RCE1 206/4885

“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.