SCHEMBL5528296

SCHEMBL5528296

COc1ccc(N2CCN(c3ccc(Br)c(OC)c3)CC2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
HTR7 P34969 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
SIRT6 Q8N6T7 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
SUV39H2 Q9H5I1 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2384047 0.87 SIRT6 (0.58) MAPK1MEN1KMT2AMAPTRAB9A
SCHEMBL23705839 0.86 ALDH1A1 (0.55) MAPK1MEN1KMT2AMAPTRAB9A
SCHEMBL31091978 0.86 ALDH1A1 (0.55) MAPK1MEN1KMT2AMAPTRAB9A
SCHEMBL27761620 0.85 LMNA (0.52) MAPK1HTR7MEN1KMT2AMAPT
SCHEMBL4709200 0.85 HTT (0.62) MAPK1HTR7MAPTSMN1; SMN2ALDH1A1
SCHEMBL2498677 0.85 MEN1 (0.60) MAPK1MEN1KMT2AMAPTRAB9A
SCHEMBL807418 0.85 ALDH1A1 (0.58) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL3469564 0.83 MAPK1 (0.43) MAPK1HTR7MEN1KMT2AMAPT
SCHEMBL2498472 0.82 MAPT (0.63) MAPK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL255446 0.82 CHRNB2 (0.60) HTR7MAPTLMNACHRNB2CHRNA4

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
US-7241765-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2007-07-10 US disclosed
US-20060229298-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues HUTCHISON ALAN 2006-10-12 US disclosed
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION 2005-03-24 US 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 (2 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-20060229298-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R MAPK1 3013/4885HTR7 132/4885MEN1 1425/4885
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES MCHR1, MCHR2, MC1R MAPK1 3013/4885HTR7 132/4885MEN1 1425/4885

“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.