SCHEMBL4008958

SCHEMBL4008958

CCN(CC)CCOc1ccc(NC(=O)COc2ccc(Br)cc2OC)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.52
MCHR1 Q99705 1/20 0.52
KDR P35968 2/20 0.51
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL4008188 0.93 BRD4 (0.61) BRD4KDM4EKDRMAPTHPGD
SCHEMBL4009917 0.90 BRD4 (0.56) BRD4KDM4EKDRMAPTHPGD
SCHEMBL4017615 0.88 MEN1 (0.59) HTTKDM4EMCHR1KDRMAPT
SCHEMBL4008962 0.84 MCHR1 (0.54) HTTKDM4EMCHR1KDRHDAC3
SCHEMBL4004936 0.83 KDR (0.55) BRD4HTTKDM4EMCHR1KDR
SCHEMBL4010377 0.83 KDR (0.55) BRD4HTTKDM4EMCHR1KDR
SCHEMBL14209512 0.82 KDR (0.60) HTTKDM4EMCHR1KDRHDAC1
SCHEMBL4006757 0.82 KDR (0.54) BRD4HTTKDM4EMCHR1KDR
SCHEMBL4009112 0.82 KDR (0.56) HTTKDM4EMCHR1KDRMAPT
Bromide SCHEMBL4014245 0.81 KDR (0.59) HTTKDM4EMCHR1KDRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 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 (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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R BRD4 549/4885HTT 1138/4885KDM4E 1359/4885

“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.