SCHEMBL4592208

SCHEMBL4592208

COC1CCCN(Cc2ccc(Br)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD4 P21917 6/20 0.48
SIGMAR1 Q99720 5/20 0.48
TMEM97 Q5BJF2 4/20 0.48
BCHE P06276 3/20 0.46
PDE2A O00408 2/20 0.46
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
MAOB P27338 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1241949 0.91 LTA4H (0.54) LTA4HMEN1KMT2ASIGMAR1BCHE
SCHEMBL1240978 0.91 LTA4H (0.54) LTA4HMEN1KMT2ASIGMAR1BCHE
SCHEMBL1240977 0.91 LTA4H (0.54) LTA4HMEN1KMT2ASIGMAR1BCHE
SCHEMBL791929 0.87 GAA (0.55) LTA4HDRD4SIGMAR1TMEM97BCHE
SCHEMBL13285981 0.87 SIGMAR1 (0.62) LTA4HDRD4SIGMAR1TMEM97BCHE
SCHEMBL18081018 0.85 BCHE (0.61) LTA4HBCHEACHEMAOBKDM4E
SCHEMBL18491559 0.84 LTA4H (0.50) LTA4HMEN1KMT2ABCHEACHE
SCHEMBL2238444 0.83 NCF1 (0.60) LTA4HMEN1KMT2ADRD4SIGMAR1
Hydrochloric Acid SCHEMBL1934809 0.82 NCF1 (0.59) LTA4HMEN1KMT2ADRD4SIGMAR1
SCHEMBL1428200 0.81 KDM4E (0.53) LTA4HSIGMAR1BCHEACHEBACE1

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 LTA4H 1868/4885MEN1 2624/4885KMT2A 474/4885

“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.