SCHEMBL21798655

SCHEMBL21798655

CCn1cc(C(=O)NCCO)c2nc3c(C)cccc3cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.46
KDM4E B2RXH2 4/20 0.42
PABPC1 P11940 1/20 0.42
ALDH1A1 P00352 4/20 0.42
ATM Q13315 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
POLR1A O95602 1/20 0.40
CYP1A2 P05177 1/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL21798707 0.89 PDE10A (0.43) PDE10AKDM4EPABPC1ALDH1A1ATM
SCHEMBL635572 0.89 RAD52 (0.48) PDE10AKDM4EALDH1A1HSD17B10POLR1A
SCHEMBL21798677 0.87 LMNA (0.48) KDM4EPABPC1ALDH1A1ATMMAPT
SCHEMBL21798708 0.87 PDE10A (0.42) PDE10AKDM4EPABPC1ALDH1A1ATM
SCHEMBL21798656 0.87 PDE10A (0.44) PDE10AKDM4EPABPC1ALDH1A1ATM
SCHEMBL21798634 0.86 PDE10A (0.43) PDE10AKDM4EPABPC1ALDH1A1ATM
SCHEMBL31125271 0.85 RAD52 (0.48) KDM4EALDH1A1HSD17B10POLR1ACYP1A2
SCHEMBL21798667 0.85 PDE10A (0.44) PDE10AKDM4EPABPC1ALDH1A1ATM
SCHEMBL21798701 0.85 POLR1A (0.41) PDE10AKDM4EALDH1A1MAPTHSD17B10
SCHEMBL635320 0.85 KMT2A (0.44) PDE10AKDM4EPABPC1ALDH1A1ATM

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 1552/4885KDM4E 3677/4885PABPC1 4399/4885
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 1486/4885KDM4E 3723/4885PABPC1 4322/4885

“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.