SCHEMBL4050708

SCHEMBL4050708

O=C(c1ccc(O)cc1)N1[CH]CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPK1 P28482 1/20 0.39
MGLL Q99685 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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 0.84 HPGD (0.56) HPGDALDH1A1KMT2AMAPTRAB9A
SCHEMBL28020408 0.82 HPGD (0.59) HPGDALDH1A1KMT2AMAPTRAB9A
SCHEMBL4053729 0.80 ALDH1A1 (0.47) HPGDALDH1A1MAPTMGLLL3MBTL3
SCHEMBL3459713 0.79 ALDH1A1 (0.49) HPGDALDH1A1KMT2AMAPTMGLL
SCHEMBL1525473 0.78 HPGD (0.53) HPGDALDH1A1KMT2AMAPTCYP1A2
SCHEMBL3459574 0.76 HPGD (0.60) HPGDALDH1A1KMT2ARAB9AMEN1
SCHEMBL3458943 0.75 RECQL (0.46) HPGDALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL2646078 0.75 HPGD (0.79) HPGDALDH1A1KMT2AMAPTCYP1A2
SCHEMBL4491431 0.73 HPGD (0.83) HPGDALDH1A1KMT2AMAPTCYP1A2
SCHEMBL4050706 0.73 HPGD (0.83) HPGDALDH1A1KMT2AMAPTCYP1A2

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.