SCHEMBL4592047

SCHEMBL4592047

CN(C)C1CCCN(Cc2ccc(Br)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HRH3 Q9Y5N1 2/20 0.48
LTA4H P09960 1/20 0.47
PDE2A O00408 2/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TNIK Q9UKE5 1/20 0.43
CHRM2 P08172 2/20 0.43
CHRM3 P20309 2/20 0.43

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
SCHEMBL5951343 0.91 LTA4H (0.55) MEN1KMT2AALDH1A1KDM4ELTA4H
SCHEMBL4591511 0.91 LTA4H (0.55) MEN1KMT2AALDH1A1KDM4ELTA4H
SCHEMBL5193010 0.91 LTA4H (0.55) MEN1KMT2AALDH1A1KDM4ELTA4H
SCHEMBL10196730 0.86 CYP2D6 (0.60) ALDH1A1KDM4EHRH3LTA4HBCHE
SCHEMBL10196756 0.86 CYP2D6 (0.60) ALDH1A1KDM4EHRH3LTA4HBCHE
SCHEMBL4592764 0.85 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4EHRH3
SCHEMBL24451870 0.84 PDE2A (0.47) MEN1KMT2AALDH1A1HRH3LTA4H
SCHEMBL4591986 0.83 KDM4E (0.57) ALDH1A1KDM4EHRH3LTA4HBCHE
SCHEMBL14924455 0.78 LTA4H (0.55) MEN1KMT2AALDH1A1HRH3LTA4H
SCHEMBL1427977 0.78 ALDH1A1 (0.71) MEN1KMT2AALDH1A1KDM4ELTA4H

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 MEN1 2624/4885KMT2A 474/4885ALDH1A1 3960/4885

“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.