SCHEMBL16276753

SCHEMBL16276753

Cc1nnc(C)c2c1CCC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 2/20 0.33
HAVCR2 Q8TDQ0 1/20 0.33
DRD4 P21917 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PARP1 P09874 1/20 0.31
MEN1 O00255 1/20 0.31
ACHE P22303 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
BPTF Q12830 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
CDC7 O00311 1/20 0.30
DBF4 Q9UBU7 1/20 0.30

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
SCHEMBL24574681 0.93 KDM4E (0.41) KDM4EALDH1A1L3MBTL1PARP1MEN1
SCHEMBL15748608 0.90 KDM4E (0.39) KDM4EALDH1A1PARP1ACHENOS3
SCHEMBL24925896 0.81 GAA (0.38) KDM4EALDH1A1MEN1MAPK1KMT2A
SCHEMBL17190473 0.77 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL24925897 0.74 HTT (0.39) KDM4EALDH1A1MAPK1
SCHEMBL22815305 0.74 TSHR (0.36)
SCHEMBL14498827 0.73 NPSR1 (0.38) KDM4EALDH1A1L3MBTL1MEN1ACHE
SCHEMBL9606752 0.71 KDM4E (0.41) KDM4E
SCHEMBL21986157 0.70 KDM4E (0.32) KDM4EALDH1A1CDC7DBF4
SCHEMBL18819887 0.69 KDM4E (0.34) KDM4EALDH1A1DRD4NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024006559-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. (US) 2024-01-04 WO disclosed
US-9579319-B2 Heterocyclic compounds as hedgehog signaling pathway inhibitors REDX PHARMA PLC (GB) 2017-02-28 US disclosed
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2016-04-28 US disclosed
WO-2014191737-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA LIMITED (GB) 2014-12-04 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-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS SMO, SHH, GLI1 KDM4E 470/4885ALDH1A1 540/4885HAVCR2 2681/4885

“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.