SCHEMBL4060683

SCHEMBL4060683

CC(=O)c1cccc(-c2ccccc2CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.50
MAPT P10636 1/20 0.44
KDM4A O75164 1/20 0.44
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
HDAC1 Q13547 1/20 0.43
BRD9 Q9H8M2 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
SUCNR1 Q9BXA5 2/20 0.42
NAMPT P43490 1/20 0.42
NQO2 P16083 1/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
CCKBR P32239 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
IDO1 P14902 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL31710569 0.91 KCNA5 (0.50) KCNA5KDM4ABRD4CREBBPHDAC1
SCHEMBL3416541 0.89 KCNA5 (0.49) KCNA5KDM4ABRD4CREBBPHDAC1
SCHEMBL7710607 0.85 KCNA5 (0.52) KCNA5KDM4ABRD4CREBBPHDAC1
SCHEMBL5477445 0.84 CHRM1 (0.56) KCNA5KDM4ABRD4CREBBPHDAC1
SCHEMBL25470419 0.84 KCNA5 (0.51) KCNA5MAPTKDM4ABRD4CREBBP
SCHEMBL3410533 0.81 KCNA5 (0.50) KCNA5KDM4ABRD4CREBBPHDAC1
SCHEMBL4051518 0.81 KCNA5 (0.50) KCNA5SUCNR1ACACBACACAMALT1
SCHEMBL7862318 0.79 KCNA5 (0.53) KCNA5MAPTKDM4AHDAC1NAMPT
SCHEMBL13135999 0.78 GLS (0.50) KDM4ABRD4CREBBPHDAC1BRD9
SCHEMBL13900421 0.78 CA1 (0.45) HDAC1SUCNR1MALT1HDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507753-B2 melanocortin receptor agonist, antagonist; preventing or treating inflammatory diseases, AIDS, obesity, bulimia, anorexia or sexual dysfunction; N-(2-aminoethyl)-3'-[1-{N-(1-benzylpiperidin-4-yl)-N-(2-naphthylacetyl)aminoethyl][1,1'-biphenyl)-2-carboxamide dihydrochloride TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2009-03-24 US disclosed
US-7507753-B2 melanocortin receptor agonist, antagonist; preventing or treating inflammatory diseases, AIDS, obesity, bulimia, anorexia or sexual dysfunction; N-(2-aminoethyl)-3'-[1-{N-(1-benzylpiperidin-4-yl)-N-(2-naphthylacetyl)aminoethyl][1,1'-biphenyl)-2-carboxamide dihydrochloride TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2009-03-24 US disclosed
US-20050096359-A1 melanocortin receptor agonist, antagonist; preventing or treating inflammatory diseases, AIDS, obesity, bulimia, anorexia or sexual dysfunction; N-(2-aminoethyl)-3'-[1-{N-(1-benzylpiperidin-4-yl)-N-(2-naphthylacetyl)aminoethyl][1,1'-biphenyl)-2-carboxamide dihydrochloride TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-05 US disclosed
EP-1466904-A1 BIARYL COMPOUND AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20050096359-A1 melanocortin receptor agonist, antagonist; preventing or treating inflammatory diseases, AIDS, obesity, bulimia, anorexia or sexual dysfunction; N-(2-aminoethyl)-3'-[1-{N-(1-benzylpiperidin-4-yl)-N-(2-naphthylacetyl)aminoethyl][1,1'-biphenyl)-2-carboxamide dihydrochloride MC4R, MC3R, MC1R KCNA5 3083/4885MAPT 3995/4885KDM4A 986/4885

“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.