SCHEMBL6002499

SCHEMBL6002499

COCCOCCOCCOCCOCCOCCOCCOCCNC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HIF1A Q16665 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
CYP1A2 P05177 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
SCHEMBL18467815 1.00 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BMAPK1
SCHEMBL12417673 1.00 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BMAPK1
SCHEMBL16420207 1.00 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BMAPK1
SCHEMBL19127326 1.00 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BMAPK1
SCHEMBL19127441 1.00 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BMAPK1
SCHEMBL13590559 1.00 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BMAPK1
SCHEMBL15223770 1.00 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BMAPK1
SCHEMBL12417668 1.00 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BMAPK1
SCHEMBL423611 1.00 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BMAPK1
SCHEMBL4406565 0.94 MEN1 (0.44) MEN1KMT2AMTNR1AMTNR1BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402785-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2018-11-21 EP disclosed
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
US-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO 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-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 MEN1 3058/4885KMT2A 1707/4885MTNR1A 419/4885

“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.