SCHEMBL4592012

SCHEMBL4592012

NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 3/20 0.63
SMYD3 Q9H7B4 1/20 0.60
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
HIF1A Q16665 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 1/20 0.56
HRH3 Q9Y5N1 2/20 0.56
SIGMAR1 Q99720 1/20 0.54
GAA P10253 1/20 0.52
TNIK Q9UKE5 1/20 0.51
LTA4H P09960 1/20 0.50
KCNH2 Q12809 1/20 0.50
PARP1 P09874 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL25207412 0.91 GAA (0.64) KDM4EALDH1A1SMYD3LMNAMAPK1
SCHEMBL5368002 0.86 GAA (0.69) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL16582078 0.86 ALDH1A1 (0.64) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL24770743 0.86 ALDH1A1 (0.65) KDM4EALDH1A1LMNAHRH3SIGMAR1
SCHEMBL12660139 0.86 KDM4E (0.64) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14174789 0.84 ALDH1A1 (0.67) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL4739633 0.84 KDM4E (0.63) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL518686 0.84 NPC1 (0.71) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24274178 0.83 KDM4E (0.65) KDM4EALDH1A1NPC1RAB9AHRH3
SCHEMBL1892346 0.83 ALDH1A1 (0.61) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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 3960/4885SMYD3 3175/4885

“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.