SCHEMBL1556893

SCHEMBL1556893

[CH2]CCCCCNC(=O)CC

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
CASP2 P42575 1/20 0.50
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAAA Q02083 1/20 0.47
EPHX1 P07099 5/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
RECQL P46063 1/20 0.43
FAAH O00519 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42

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
SCHEMBL28420730 1.00 MEN1 (0.74) MEN1KMT2ACASP2ALDH1A1SMN1; SMN2
SCHEMBL1557185 0.98 MEN1 (0.77) MEN1KMT2ACASP2ALDH1A1SMN1; SMN2
SCHEMBL2044134 0.91
SCHEMBL9259257 0.89 MEN1 (0.94) MEN1KMT2ACASP2ALDH1A1SMN1; SMN2
SCHEMBL11758762 0.89 MEN1 (0.94) MEN1KMT2ACASP2ALDH1A1SMN1; SMN2
SCHEMBL21765846 0.89 MEN1 (0.94) MEN1KMT2ACASP2ALDH1A1SMN1; SMN2
SCHEMBL17229157 0.86 MEN1 (1.00) MEN1KMT2ACASP2ALDH1A1SMN1; SMN2
SCHEMBL28422719 0.83 CASP2 (0.74) MEN1KMT2ACASP2NAAAEPHX1
SCHEMBL1556878 0.83 CASP2 (0.74) MEN1KMT2ACASP2NAAAEPHX1
SCHEMBL2944555 0.82 MEN1 (0.81) MEN1KMT2ACASP2NAAAEPHX1

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 16 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
US-5124331-A Anticancer agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-06-23 US disclosed
EP-0364598-A1 3,4-dihydrothieno ¬2,3-d pyrimidine compounds and pharmaceutical application thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-04-25 EP disclosed
US-4786649-A ANTISEPTICS OTSUKA PHARMACEUTICAL COMPANY LIMITED (JP) 1988-11-22 US disclosed
EP-0228035-A2 Antimicrobial 1-thienyl-4-oxoquinoline-3-carboxylix acid compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-07-08 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 (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 MEN1 1040/4885KMT2A 3327/4885CASP2 1948/4885
US-20060135572-A1 CaSR antagonist CASR, CALCR, CALCRL MEN1 1669/4885KMT2A 3258/4885CASP2 2108/4885
US-20120301552-A1 CaSR Antagonist CASR, CALCR, CALCRL MEN1 1040/4885KMT2A 3327/4885CASP2 1948/4885
US-20080255042-A1 CaSR Antagonist CASR, CALCR, CALCRL MEN1 1040/4885KMT2A 3327/4885CASP2 1948/4885
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 MEN1 1836/4885KMT2A 2247/4885CASP2 2936/4885

“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.