SCHEMBL21798656

SCHEMBL21798656

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.44
ATM Q13315 4/20 0.43
KMT2A Q03164 1/20 0.41
PABPC1 P11940 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.38
RAB9A P51151 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
SCHEMBL21798666 0.88 KDM4E (0.42) ATMKMT2APABPC1ALDH1A1KDM4E
SCHEMBL21798668 0.88 PDE10A (0.41) PDE10AATMKMT2APABPC1ALDH1A1
SCHEMBL21798670 0.88 PDE10A (0.41) PDE10AATMKMT2APABPC1ALDH1A1
SCHEMBL21798655 0.87 PDE10A (0.46) PDE10AATMKMT2APABPC1ALDH1A1
SCHEMBL21798695 0.86 PDE10A (0.42) PDE10AATMKMT2APABPC1ALDH1A1
SCHEMBL21798707 0.84 PDE10A (0.43) PDE10AATMKMT2APABPC1ALDH1A1
SCHEMBL21798667 0.84 PDE10A (0.44) PDE10AATMKMT2APABPC1ALDH1A1
SCHEMBL635572 0.84 RAD52 (0.48) PDE10AALDH1A1KDM4EHSD17B10
SCHEMBL21798634 0.83 PDE10A (0.43) PDE10AATMKMT2APABPC1ALDH1A1
SCHEMBL21798708 0.83 PDE10A (0.42) PDE10AATMPABPC1ALDH1A1KDM4E

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 1552/4885ATM 2004/4885KMT2A 2396/4885
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 1486/4885ATM 2024/4885KMT2A 2477/4885

“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.