SCHEMBL8819

SCHEMBL8819

CCC(=O)NCc1ccncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.52
HPGDS O60760 1/20 0.45
PDE10A Q9Y233 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CHRM4 P08173 1/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
MAPK14 Q16539 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
P2RX7 Q99572 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL28124071 0.87 NAMPT (0.50) NAMPTHPGDSPDE10AMEN1KMT2A
SCHEMBL19001322 0.84 MTNR1A (0.42) NAMPTMEN1KMT2ASMN1; SMN2P2RX7
SCHEMBL18343422 0.83 NPSR1 (0.53) NAMPTHPGDSPDE10AKMT2ACHRM4
SCHEMBL19116342 0.83 HPGD (0.48) NAMPTHPGDSPDE10AMEN1KMT2A
SCHEMBL19169741 0.83 HPGD (0.48) NAMPTHPGDSPDE10ALMNACHRM4
SCHEMBL22501568 0.81 NAMPT (0.52) NAMPTHPGDSPDE10AMEN1KMT2A
SCHEMBL19210518 0.80 NAMPT (0.52) NAMPTHPGDSPDE10AMEN1KMT2A
SCHEMBL20105000 0.80 MCL1 (0.50) NAMPTHPGDSPDE10ACHRM4POLB
SCHEMBL29493662 0.80 MCL1 (0.50) NAMPTHPGDSPDE10ACHRM4POLB
SCHEMBL29883734 0.79 NAMPT (0.48) NAMPTHPGDSPDE10ACHRM4RAB9A

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 9 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
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 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
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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 (2 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP NAMPT 2990/4885HPGDS 3785/4885PDE10A 2633/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 NAMPT 3070/4885HPGDS 3036/4885PDE10A 4186/4885

“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.