SCHEMBL1556878

SCHEMBL1556878

[CH2]CCCCCNC(=O)CCC

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.74
NAAA Q02083 1/20 0.58
FAAH O00519 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DNM1 Q05193 1/20 0.47
EPHX1 P07099 4/20 0.47
EPHX2 P34913 3/20 0.46

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
SCHEMBL28422719 1.00 CASP2 (0.74) CASP2NAAAFAAHMEN1KMT2A
SCHEMBL1556009 0.98 CASP2 (0.70) CASP2NAAAFAAHMEN1KMT2A
SCHEMBL1556215 0.92 CASP2 (0.67) CASP2NAAAFAAHMEN1KMT2A
SCHEMBL28422794 0.90 CASP2 (0.66) CASP2NAAAFAAHDNM1EPHX1
SCHEMBL14199967 0.89 CASP2 (0.91) CASP2NAAAFAAHMEN1KMT2A
SCHEMBL10443771 0.89 CASP2 (0.69) CASP2NAAAFAAHDNM1EPHX1
SCHEMBL5535283 0.89 CASP2 (0.69) CASP2NAAAFAAHDNM1EPHX1
SCHEMBL10895513 0.89 CASP2 (0.69) CASP2NAAAFAAHDNM1EPHX1
SCHEMBL5541786 0.89 CASP2 (0.69) CASP2NAAAFAAHDNM1EPHX1
SCHEMBL7286083 0.89 CASP2 (0.69) CASP2NAAAFAAHDNM1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120301552-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2012-11-29 US disclosed
EP-2308828-A2 CaSR antagonist Japan Tobacco Inc. (JP) 2011-04-13 EP disclosed
EP-2189439-A2 CaSR antagonist Japan Tobacco, Inc. (JP) 2010-05-26 EP disclosed
US-20090326058-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2009-12-31 US disclosed
EP-1619180-B1 CaSR ANTAGONIST JAPAN TOBACCO INC (JP) 2009-12-16 EP disclosed
US-20080255042-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2008-10-16 US disclosed
US-7304174-B2 CaSR antagonist JAPAN TOBACCO INC. (JP) 2007-12-04 US disclosed
US-7285572-B2 CaSR antagonist JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20060135572-A1 CaSR antagonist JAPAN TOBACCO INC. (JP) 2006-06-22 US disclosed
EP-1630157-A1 CaSR ANTAGONIST JAPAN TOBACCO INC. (JP) 2006-03-01 EP disclosed
EP-1619180-A1 CaSR ANTAGONIST JAPAN TOBACCO INC. (JP) 2006-01-25 EP disclosed
US-20050032796-A1 Compounds as for example, 2'-[1-[(2R)-3-[[1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-3-methylbiphenyl-4-carboxylic acid, having a calcium-sensing receptor antagonistic action; therapeutic drug for osteoporosis JAPAN TOBACCO INC. 2005-02-10 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 (5 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-20090326058-A1 CaSR Antagonist CASR, CALCR, CALCRL CASP2 1948/4885NAAA 2807/4885FAAH 3669/4885
US-20060135572-A1 CaSR antagonist CASR, CALCR, CALCRL CASP2 2108/4885NAAA 2558/4885FAAH 3179/4885
US-20120301552-A1 CaSR Antagonist CASR, CALCR, CALCRL CASP2 1948/4885NAAA 2807/4885FAAH 3669/4885
US-20080255042-A1 CaSR Antagonist CASR, CALCR, CALCRL CASP2 1948/4885NAAA 2807/4885FAAH 3669/4885
US-20050032796-A1 Compounds as for example, 2'-[1-[(2R)-3-[[1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-3-methylbiphenyl-4-carboxylic acid, having a calcium-sensing receptor antagonistic action; therapeutic drug for osteoporosis CASR, CALCR, GRK2 CASP2 2936/4885NAAA 3922/4885FAAH 3392/4885

“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.