SCHEMBL4592225

SCHEMBL4592225

O=C(NN1CCCCC1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.50
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
CNR2 P34972 2/20 0.37
TSHR P16473 1/20 0.37
EPHX1 P07099 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
SCHEMBL7926 0.98 EPHX2 (0.49) EPHX2ALDH1A1HPGDPOLBHDAC8
Hydrochloric Acid SCHEMBL28539557 0.95 EPHX2 (0.48) EPHX2ALDH1A1HPGDPOLBHDAC8
SCHEMBL11244833 0.93 HDAC8 (0.52) EPHX2ALDH1A1HPGDPOLBHDAC8
SCHEMBL9349123 0.92 EPHX2 (0.47) EPHX2ALDH1A1HPGDPOLBHDAC8
SCHEMBL13779902 0.84 EPHX2 (0.50) EPHX2ALDH1A1HPGDPOLBMEN1
SCHEMBL14084928 0.84 EPHX2 (0.47) EPHX2ALDH1A1HPGDPOLBMEN1
SCHEMBL9348792 0.80 EPHX2 (0.40) EPHX2ALDH1A1HPGDPOLBMEN1
SCHEMBL7791787 0.78 PADI1 (0.46) EPHX2ALDH1A1POLBHDAC8HDAC6
SCHEMBL28991011 0.78 HDAC8 (0.45) EPHX2ALDH1A1HPGDHDAC8HDAC6
SCHEMBL28991008 0.78 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-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

“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.