SCHEMBL12820063

SCHEMBL12820063

CCCC(=O)NCc1ncco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NTRK1 P04629 1/20 0.41
NTRK3 Q16288 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MAPK1 P28482 2/20 0.40
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL19151077 0.87 NTRK1 (0.43) NTRK1NTRK3HDAC3HDAC4HDAC1
SCHEMBL19111007 0.83 NTRK1 (0.39) CYP3A4CYP2C19L3MBTL1NTRK1NTRK3
SCHEMBL13394010 0.80 NTRK1 (0.42) L3MBTL1NTRK1NTRK3MAPK1MTNR1A
SCHEMBL12304217 0.79 HPGD (0.45) CYP3A4CYP2C19NTRK1NTRK3MAPK1
SCHEMBL31010598 0.78 MAPK1 (0.41) CYP2C19L3MBTL1NTRK1NTRK3MAPK1
SCHEMBL1259341 0.76 RECQL (0.41) CYP2C19NTRK1NTRK3MAPK1POLB
SCHEMBL13380073 0.75 ERCC1 (0.41) NTRK1NTRK3HDAC1HDAC2HDAC8
SCHEMBL20804453 0.74 CYP3A4 (0.45) CYP3A4CYP2C19L3MBTL1MTNR1AMTNR1B
SCHEMBL20804452 0.74 CYP2C19 (0.42) CYP3A4CYP2C19L3MBTL1MTNR1AMTNR1B
SCHEMBL14562629 0.73 ROCK2 (0.39) L3MBTL1NTRK1NTRK3MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183184-A1 3-(Carboxyethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-15 US disclosed
US-20230183184-A1 3-(Carboxyethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-15 US disclosed
EP-3652157-B1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUENENTHAL GMBH (DE) 2021-05-05 EP disclosed
EP-3402783-B1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP disclosed
WO-2019012037-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2019-01-17 WO 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
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 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-20230183184-A1 3-(Carboxyethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP3A4 905/4885CYP2C19 1521/4885L3MBTL1 3598/4885

“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.