SCHEMBL21798708

SCHEMBL21798708

CCN(C)CCNC(=O)c1cn(CC)c(=O)c2cc3cccc(C)c3nc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.42
POLR1A O95602 4/20 0.41
ALDH1A1 P00352 4/20 0.40
RAD52 P43351 2/20 0.40
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.40
ECE1 P42892 1/20 0.40
MUS81 Q96NY9 1/20 0.40
KDM4E B2RXH2 4/20 0.39
PABPC1 P11940 1/20 0.39
AOX1 Q06278 1/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
UHRF1 Q96T88 1/20 0.39
CYP1A2 P05177 1/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 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
SCHEMBL635572 0.92 RAD52 (0.48) PDE10APOLR1AALDH1A1RAD52GAA
SCHEMBL21798655 0.87 PDE10A (0.46) PDE10APOLR1AALDH1A1USP2KDM4E
SCHEMBL634104 0.85 POLR1A (0.50) POLR1AALDH1A1RAD52GAAECE1
SCHEMBL31125271 0.85 RAD52 (0.48) POLR1AALDH1A1RAD52ECE1MUS81
SCHEMBL21798707 0.85 PDE10A (0.43) PDE10AALDH1A1USP2KDM4EPABPC1
SCHEMBL634304 0.83 POLR1A (0.47) PDE10APOLR1AALDH1A1RAD52ECE1
SCHEMBL634314 0.83 RAD52 (0.45) POLR1AALDH1A1RAD52GAAECE1
SCHEMBL634412 0.83 POLR1A (0.48) POLR1AALDH1A1RAD52ECE1MUS81
SCHEMBL21798656 0.83 PDE10A (0.44) PDE10AALDH1A1USP2KDM4EPABPC1
SCHEMBL21798670 0.83 PDE10A (0.41) PDE10APOLR1AALDH1A1USP2KDM4E

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-11046687-B2 Polycyclic amide compound, preparation process and use thereof HEBEI GRANDIOS PHARMA CO., LTD. 2021-06-29 US disclosed
US-20200079771-A1 Novel Polycyclic Amide Compound, Preparation Process And Use Thereof HEBEI GRANDIOS PHARMA CO., LTD. (CN) 2020-03-12 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 (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-20200079771-A1 Novel Polycyclic Amide Compound, Preparation Process And Use Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, UACA PDE10A 1552/4885POLR1A 373/4885ALDH1A1 2249/4885
US-11046687-B2 Polycyclic amide compound, preparation process and use thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UACA, H1-0 PDE10A 1486/4885POLR1A 500/4885ALDH1A1 2429/4885

“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.