SCHEMBL4592214

SCHEMBL4592214

CC(C)(O)CN(CCO)Cc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PYCR1 P32322 7/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 1/20 0.36
CTSK P43235 1/20 0.35
ACHE P22303 1/20 0.33

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
SCHEMBL4592097 0.83 PYCR1 (0.54) KDM4EALDH1A1PYCR1MAPTMAPK1
SCHEMBL4592016 0.82 PYCR1 (0.52) KDM4EALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL4592107 0.80 ALDH1A1 (0.59) KDM4EALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL14966184 0.73 CYP1A2 (0.39) KDM4EALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL14971100 0.73 CYP1A2 (0.39) KDM4EALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL29334681 0.72 PYCR1 (0.56) KDM4EALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL13888904 0.72 HTT (0.53) KDM4EALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL19953391 0.72 MAPT (0.36) KDM4EALDH1A1CYP1A2CYP2C9HTT
SCHEMBL308505 0.72 KDM4E (0.62) KDM4EALDH1A1PYCR1TAAR1MEN1
SCHEMBL13900464 0.71 MEN1 (0.53) KDM4EALDH1A1CYP2D6CYP2C19HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296906-A (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INT (DE) 2008-10-29 CN 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
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 KDM4E 1313/4885ALDH1A1 3960/4885CYP1A2 667/4885

“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.