SCHEMBL4711583

SCHEMBL4711583

COc1ccc(CN2CCN(c3ncc(Br)c(OC)n3)CC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 3/20 0.51
TSHR P16473 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 2/20 0.47
DRD2 P14416 3/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 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
SCHEMBL4710918 0.82 MEN1 (0.66) ALDH1A1KDM4EKMT2ATSHRMAPK1
SCHEMBL29858194 0.82 KDM4E (0.51) ALDH1A1KDM4EKMT2ATSHRALOX15
SCHEMBL4712990 0.82 KDM4E (0.51) ALDH1A1KDM4EKMT2ATSHRALOX15
SCHEMBL5459236 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2ATSHRALOX15
SCHEMBL1600111 0.76 KMT2A (0.65) ALDH1A1KDM4EKMT2ATSHRALOX15
SCHEMBL7958862 0.75 HTT (0.64) ALDH1A1KDM4EKMT2AMAPK1HTT
SCHEMBL4710190 0.75 HTT (0.57) ALDH1A1KDM4EKMT2ATSHRALOX15
SCHEMBL4708954 0.74 HTR7 (0.57) ALDH1A1KDM4EKMT2ATSHRALOX15
SCHEMBL4711626 0.73 CRHBP (0.53) ALDH1A1KDM4EKMT2ATSHRALOX15
SCHEMBL4709810 0.72 HTT (0.54) ALDH1A1KDM4EKMT2ATSHRALOX15

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935885-A2 Melanin concentrating hormone receptor ligands : substituted 1-benzyl-4-aryl piperazine analogues. NEUROGEN CORPORATION (US) 2008-06-25 EP disclosed
US-7241765-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2007-07-10 US disclosed
US-7241765-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2007-07-10 US disclosed
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-7081458-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORP. (US) 2006-07-25 US disclosed
US-6953801-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2005-10-11 US disclosed
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues HUTCHISON ALAN (US) 2005-08-18 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 (3 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 ALDH1A1 1263/4885KDM4E 1194/4885KMT2A 1231/4885
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES MCHR1, MCHR2, MC1R ALDH1A1 1263/4885KDM4E 1194/4885KMT2A 1231/4885
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R ALDH1A1 1263/4885KDM4E 1194/4885KMT2A 1231/4885

“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.