SCHEMBL7926

SCHEMBL7926

O=C(NN1CCCC1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 2/20 0.35

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
SCHEMBL4592225 0.98 EPHX2 (0.51) EPHX2ALDH1A1HPGDPOLBHDAC8
Hydrochloric Acid SCHEMBL28539557 0.98 EPHX2 (0.48) EPHX2ALDH1A1HPGDPOLBHDAC8
SCHEMBL11244833 0.91 HDAC8 (0.52) EPHX2ALDH1A1HPGDPOLBHDAC8
SCHEMBL9349123 0.90 EPHX2 (0.47) EPHX2ALDH1A1HPGDPOLBHDAC8
SCHEMBL14084928 0.86 EPHX2 (0.47) EPHX2ALDH1A1HPGDPOLBMEN1
SCHEMBL13779902 0.86 EPHX2 (0.50) EPHX2ALDH1A1HPGDPOLBMEN1
SCHEMBL9348792 0.79 EPHX2 (0.40) EPHX2ALDH1A1HPGDPOLBMEN1
Hydrochloric Acid SCHEMBL3169421 0.79 CHRNB2 (0.48) EPHX2ALDH1A1HPGDPOLB
SCHEMBL7791787 0.76 PADI1 (0.46) EPHX2ALDH1A1POLBHDAC8HDAC6
SCHEMBL28991011 0.76 HDAC8 (0.45) EPHX2ALDH1A1HPGDHDAC8HDAC6

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499144-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 EP claimed
EP-2499129-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 EP claimed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP claimed
WO-2011058108-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO claimed
WO-2011058110-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO claimed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO claimed
CN-107912040-B Pyrrolidine amide compounds as histone demethylase inhibitors 基因泰克公司 2021-04-06 CN disclosed
CN-103889226-B 1, 3-diaryl substituted heterocyclic insecticides 纳幕尔杜邦公司 2017-02-15 CN disclosed
US-9113631-B2 1,3-diaryl-substituted heterocyclic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-25 US disclosed
US-20140249025-A1 1,3-DIARYL-SUBSTITUTED HETEROCYCLIC PESTICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2014-09-04 US disclosed
EP-2770831-A1 1,3-DIARYL-SUBSTITUTED HETEROCYCLIC PESTICIDES E. I. Du Pont de Nemours and Company (US) 2014-09-03 EP disclosed
CN-103889226-A 1, 3-diaryl substituted heterocyclic insecticides DU PONT 2014-06-25 CN disclosed
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP disclosed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO disclosed
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
WO-2008057420-A2 EXTENDED TRITERPENE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-05-15 WO disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof MYREXIS, INC. 2006-09-14 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 EPHX2 1171/4885ALDH1A1 3960/4885HPGD 3220/4885
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof BET1, PGGT1B, TMPO EPHX2 789/4885ALDH1A1 2323/4885HPGD 254/4885
US-20140249025-A1 1,3-DIARYL-SUBSTITUTED HETEROCYCLIC PESTICIDES DDT, CHRM1, CYP1B1 EPHX2 618/4885ALDH1A1 856/4885HPGD 2404/4885
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA EPHX2 2071/4885ALDH1A1 1059/4885HPGD 1418/4885

“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.