SCHEMBL17447516

SCHEMBL17447516

CCC(=O)NCC(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.39
PSMB5 P28074 1/20 0.38
GAA P10253 2/20 0.35
PRMT3 O60678 1/20 0.33
CYP2C9 P11712 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RECQL P46063 2/20 0.31
HDAC4 P56524 1/20 0.31
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL19151396 0.82 ALDH1A1 (0.46) ALDH1A1PSMB5GAARECQL
SCHEMBL9797556 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1GAAPRMT3
SCHEMBL19151263 0.77 MEN1 (0.54) MEN1KMT2AALDH1A1CYP2C9RECQL
SCHEMBL19169700 0.76 HPGD (0.40) MEN1KMT2AALDH1A1GAAPRMT3
SCHEMBL19117070 0.76 PSMB5 (0.46) KMT2AALDH1A1PSMB5GAA
SCHEMBL24899512 0.76 GAA (0.37) ALDH1A1GAARECQL
SCHEMBL19176801 0.76 GAA (0.33) ALDH1A1GAA
SCHEMBL2597884 0.75 CYP2D6 (0.39) ALDH1A1GAAPRMT3RXFP1HDAC4
SCHEMBL5945865 0.75 KDM4E (0.40) ALDH1A1GAAPRMT3RXFP1HDAC4
SCHEMBL17486789 0.74 ALDH1A1 (0.38) KMT2AALDH1A1GAAPRMT3RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 EP disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US 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
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 MEN1 4070/4885KMT2A 2875/4885ALDH1A1 359/4885

“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.