SCHEMBL19110989

SCHEMBL19110989

CC(C)CCC(=O)NC(C)(C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ANPEP P15144 2/20 0.33
RNPEP Q9H4A4 2/20 0.33
DNPEP Q9ULA0 1/20 0.33
PIK3CD O00329 1/20 0.32
TRPA1 O75762 1/20 0.32
CTSD P07339 1/20 0.32
KCNJ11 Q14654 1/20 0.31
NAMPT P43490 1/20 0.31
NEU4 Q8WWR8 1/20 0.30
NEU1 Q99519 1/20 0.30
NEU2 Q9Y3R4 1/20 0.30
NOD1 Q9Y239 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
SCHEMBL22175199 0.82 KDM4C (0.40) CA1P2RX7ALDH1A1PIK3CDKCNJ11
SCHEMBL19116861 0.80 PTPN1 (0.36) ALDH1A1PIK3CD
SCHEMBL17771181 0.79 CA1 (0.44) CA1P2RX7ALDH1A1PIK3CD
SCHEMBL9253803 0.78 CTSD (0.48) CA1ALDH1A1CTSD
SCHEMBL19750428 0.77 CA1 (0.39) CA1P2RX7ALDH1A1PIK3CD
SCHEMBL19389216 0.74 ALDH1A1 (0.46) CA1P2RX7ALDH1A1
SCHEMBL9112217 0.73 CA1 (0.39) CA1P2RX7ALDH1A1PIK3CDKCNJ11
SCHEMBL9112225 0.73 CA1 (0.39) CA1P2RX7ALDH1A1PIK3CDKCNJ11
SCHEMBL20767063 0.73 CA1 (0.35) CA1P2RX7ALDH1A1ANPEPRNPEP
SCHEMBL18518150 0.73 MEN1 (0.36) ALDH1A1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214315-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-07-15 US disclosed
US-20200399226-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2020-12-24 US disclosed
US-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUNENTHAL GMBH (DE) 2020-10-22 US disclosed
US-10793528-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-06 US disclosed
US-10738015-B2 1,3-diaza-spiro-[3.4]-octane derivatives Grünenthal GmbH (DE) 2020-08-11 US disclosed
US-20190100497-A1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2019-04-04 US disclosed
US-20190016685-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2019-01-17 US disclosed
WO-2017121646-A1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
US-20170197919-A1 3-(Carboxyethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-20170197919-A1 3-(Carboxyethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 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 (8 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-20190016685-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES OPRK1, OPRD1, OPRL1 CA1 4329/4885P2RX7 392/4885ALDH1A1 32/4885
US-10738015-B2 1,3-diaza-spiro-[3.4]-octane derivatives OPRK1, OPRD1, OPRL1 CA1 4329/4885P2RX7 392/4885ALDH1A1 32/4885
US-20210214315-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 CA1 3964/4885P2RX7 104/4885ALDH1A1 437/4885
US-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES OPRK1, OPRD1, OPRL1 CA1 4329/4885P2RX7 392/4885ALDH1A1 32/4885
US-20170197919-A1 3-(Carboxyethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD1 CA1 2349/4885P2RX7 82/4885ALDH1A1 472/4885
US-20200399226-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 CA1 3964/4885P2RX7 104/4885ALDH1A1 437/4885
US-20190100497-A1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 CA1 3086/4885P2RX7 149/4885ALDH1A1 317/4885
US-10793528-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, OPRL1 CA1 3964/4885P2RX7 104/4885ALDH1A1 437/4885

“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.