SCHEMBL4592233

SCHEMBL4592233

NC(=O)C1C[CH]CCN1Cc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.40
MAOB P27338 4/20 0.39
MAOA P21397 3/20 0.39
SCN3A Q9NY46 1/20 0.38
TNIK Q9UKE5 1/20 0.38
DRD4 P21917 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
GPR183 P32249 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL14142405 0.87 GAA (0.46) SPHK1MAOBMAOASCN3ADRD4
SCHEMBL2852932 0.86 MAOB (0.47) SPHK1MAOBMAOASCN3AALDH1A1
SCHEMBL2699801 0.86 SPHK1 (0.49) SPHK1MAOBMAOASCN3APOLB
SCHEMBL4704664 0.83 GBA1 (0.40) SPHK1MAOBMAOASCN3AALDH1A1
SCHEMBL6241369 0.83 HSD11B1 (0.46) SPHK1MAOBMAOASCN3AALDH1A1
SCHEMBL2856130 0.80 MAOB (0.44) SPHK1MAOBMAOASCN3ADRD4
SCHEMBL2855574 0.79 KDM4E (0.46) SPHK1MAOBMAOADRD4SIGMAR1
SCHEMBL5015327 0.76 KDM4E (0.48) DRD4ALDH1A1POLBHTTSIGMAR1
SCHEMBL3873697 0.75 SSTR5 (0.45) SPHK1MAOBMAOAALDH1A1SMN1; SMN2
SCHEMBL15139847 0.74 LTA4H (0.58)

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 SPHK1 4048/4885MAOB 137/4885MAOA 159/4885

“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.