SCHEMBL30725992

SCHEMBL30725992

Cc1cn(COCC[Si](C)(C)C)nc1-c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
FLT3 P36888 2/20 0.36
GSK3B P49841 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TGFBR1 P36897 1/20 0.34
MAPK14 Q16539 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DCTPP1 Q9H773 4/20 0.34
DGAT1 O75907 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL31074732 0.86 CYP1A2 (0.35) KDM4ENPC1CYP1A2CYP2D6CYP19A1
SCHEMBL31074698 0.82 MAPT (0.37) KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL5198347 0.77 DGAT1 (0.35) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL21858181 0.73 DGAT1 (0.35) NPC1DGAT1
SCHEMBL23294523 0.73 CA1 (0.42) KDM4ENPC1CYP19A1CYP2C9CYP2C19
SCHEMBL29852210 0.73 CA1 (0.42) KDM4ENPC1CYP19A1CYP2C9CYP2C19
SCHEMBL5870770 0.73 KDM4E (0.38) KDM4ENPC1FLT3GSK3BCYP1A2
SCHEMBL5197846 0.73 PIM1 (0.39) TGFBR1GRM5
SCHEMBL17810271 0.72 DGAT1 (0.42) NPC1FLT3GSK3BCYP1A2CYP2D6
SCHEMBL30726004 0.71 CYP1A2 (0.38) KDM4ENPC1CYP1A2CYP2D6CYP19A1

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-12552767-B2 3-heteroaryl pyrrolidine and piperidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2026-02-17 US disclosed
US-20240002359-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-01-04 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-12552767-B2 3-heteroaryl pyrrolidine and piperidine orexin receptor agonists HCRTR2, HCRTR1, NPY1R KDM4E 2104/4885NPC1 598/4885FLT3 2276/4885
US-20240002359-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS HCRTR2, HCRTR1, OXTR KDM4E 1620/4885NPC1 1016/4885FLT3 1730/4885

“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.