SCHEMBL8230809

SCHEMBL8230809

CC(=O)NCC(=O)N1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KDM1A O60341 3/20 0.43
MAOB P27338 3/20 0.43
FAP Q12884 2/20 0.42
DPP4 P27487 1/20 0.42
PREP P48147 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR1A P08908 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2C19 P33261 1/20 0.40
MAOA P21397 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 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
SCHEMBL17084546 0.86 CYP1A2 (0.46) TDP1CYP1A2FAPDPP4PREP
SCHEMBL17737713 0.83 DPP4 (0.49) L3MBTL1FAPDPP4PREPNPSR1
SCHEMBL3950282 0.83 DPP4 (0.49) TDP1L3MBTL1FAPDPP4PREP
SCHEMBL3943991 0.82 TSHR (0.50) TDP1L3MBTL1FAPDPP4PREP
SCHEMBL23173625 0.81 CACNA2D1 (0.47) L3MBTL1KDM1AMAOBFAPDPP4
SCHEMBL8144341 0.81 CACNA2D1 (0.53) TDP1L3MBTL1KDM1AMAOBFAP
SCHEMBL19312000 0.81 CYP1A2 (0.50) TDP1CYP1A2L3MBTL1KDM1AMAOB
SCHEMBL13368210 0.81 TDP1 (0.47) TDP1CYP1A2NPSR1HTR1AKDM4E
SCHEMBL22338800 0.81 L3MBTL1 (0.54) TDP1CYP1A2L3MBTL1KDM1AMAOB
SCHEMBL13431492 0.79 HRH3 (0.41) L3MBTL1FAPDPP4PREPNPSR1

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
US-9656978-B2 Acylpiperazines as inhibitors of transglutaminase and their use in medicine ASTON UNIVERSITY (GB) 2017-05-23 US disclosed
US-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ASTON UNIVERSITY (GB) 2015-09-17 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
WO-2007127135-A2 ANTIBIOTIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-08 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 TDP1 4621/4885CYP1A2 1309/4885L3MBTL1 2240/4885
US-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ENPEP, ENPP2, MMP17 TDP1 997/4885CYP1A2 283/4885L3MBTL1 4014/4885

“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.