SCHEMBL4050706

SCHEMBL4050706

O=C(c1ccc(O)cc1)N1CCCCC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.83
ALDH1A1 P00352 5/20 0.83
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
TSHR P16473 1/20 0.62
MAPT P10636 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MAPK1 P28482 1/20 0.61
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
MLYCD O95822 2/20 0.59
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.59
MBTD1 Q05BQ5 3/20 0.58

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
SCHEMBL4491431 1.00 HPGD (0.83) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL3917299 1.00 HPGD (0.83) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL2646078 0.98 HPGD (0.79) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL1975158 0.94 HPGD (0.72) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL7132525 0.91 HPGD (1.00) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL27479149 0.91 HPGD (1.00) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL14523155 0.89 HPGD (0.64) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL10721733 0.89 HPGD (0.95) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL19381700 0.84 HPGD (0.59) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL3905925 0.83 HPGD (0.83) HPGDALDH1A1KMT2AMEN1TSHR

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 HPGD 3319/4885ALDH1A1 3865/4885KMT2A 690/4885

“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.