SCHEMBL4053729

SCHEMBL4053729

O=C(c1cccc(O)c1)N1[CH]CCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
MGLL Q99685 8/20 0.46
KDM4E B2RXH2 2/20 0.45
EGLN2 Q96KS0 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
PARP1 P09874 1/20 0.43
HPGD P15428 2/20 0.43
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1927948 0.82 HPGD (0.56) ALDH1A1MAPTHPGDL3MBTL3L3MBTL1
SCHEMBL4050708 0.80 HPGD (0.46) ALDH1A1MAPTMGLLHPGDL3MBTL3
SCHEMBL28020408 0.80 HPGD (0.59) ALDH1A1MAPTKDM4EHPGDL3MBTL3
SCHEMBL2644377 0.78 HPGD (0.67) ALDH1A1MAPTMGLLHPGDL3MBTL3
SCHEMBL4053730 0.77 HPGD (0.68) ALDH1A1MAPTMGLLHPGD
SCHEMBL4053727 0.77 HPGD (0.68) ALDH1A1MAPTMGLLHPGD
SCHEMBL30957287 0.77 HPGD (0.68) ALDH1A1MAPTMGLLHPGD
SCHEMBL1525473 0.76 HPGD (0.53) ALDH1A1MAPTHPGDL3MBTL3L3MBTL1
SCHEMBL15605882 0.75 SMN1; SMN2 (0.65) ALDH1A1MAPTMGLLHPGD
SCHEMBL3459381 0.74 FAAH (0.55) ALDH1A1MAPTMGLLKDM4E

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-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 ALDH1A1 3865/4885MAPT 3995/4885MGLL 2615/4885

“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.