SCHEMBL21740128

SCHEMBL21740128

CCC(N)C(=O)NC[C@@H]1CCCNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
PBK Q96KB5 5/20 0.40
CHEK1 O14757 2/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
EPHX1 P07099 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
IGLV6-57 P01721 1/20 0.35
ATR Q13535 1/20 0.34

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
SCHEMBL22857559 0.85 CPN1 (0.46) CPN1CPB2PBKCHEK1TLR9
SCHEMBL22857495 0.85 CPN1 (0.46) CPN1CPB2PBKCHEK1TLR9
SCHEMBL22752000 0.82 CPN1 (0.44) CPN1CPB2PBKCHEK1TLR9
SCHEMBL12413663 0.82 CPN1 (0.44) CPN1CPB2PBKCHEK1TLR9
SCHEMBL22752189 0.82 CPN1 (0.44) CPN1CPB2PBKCHEK1TLR9
SCHEMBL3214410 0.82 TSHR (0.49) EPHX1KMT2ACYP2D6TSHR
SCHEMBL8246570 0.80 TDP1 (0.50) KMT2ACYP2D6TSHRDPP4FAP
SCHEMBL16509283 0.77 EPHX1 (0.44) CPN1CPB2PBKCHEK1EPHX1
SCHEMBL12507030 0.77 EPHX1 (0.44) CPN1CPB2PBKCHEK1EPHX1
SCHEMBL13212506 0.77 PBK (0.45) CPN1CPB2PBKCHEK1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221812-A1 MATRINE a-KETOAMINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI XINGYE PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2021-07-22 US disclosed
WO-2020035010-A1 MATRINE α-KETOAMINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 上海星叶医药科技有限公司 2020-02-20 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-20210221812-A1 MATRINE a-KETOAMINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF KLKB1, TNF, KMO CPN1 4322/4885CPB2 3057/4885PBK 15/4885

“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.