SCHEMBL23634161

SCHEMBL23634161

CC(C)C[C@H]1CC[C@H](CNC(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
HTR2C P28335 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL104225 0.88
SCHEMBL17369631 0.88 SIGMAR1 (0.45) SIGMAR1JAK2JAK1TYK2HTR2C
SCHEMBL13884246 0.88 SIGMAR1 (0.45) SIGMAR1JAK2JAK1TYK2HTR2C
Hydrochloric Acid SCHEMBL21879609 0.85
SCHEMBL9911345 0.84 SIGMAR1 (0.40) SIGMAR1JAK2JAK1TYK2HTR2C
SCHEMBL13638689 0.84 SIGMAR1 (0.40) SIGMAR1JAK2JAK1TYK2HTR2C
SCHEMBL15200275 0.84 SIGMAR1 (0.40) SIGMAR1JAK2JAK1TYK2HTR2C
SCHEMBL104968 0.80
SCHEMBL105260 0.80 HTT (0.41) SIGMAR1HTR2CHTT
SCHEMBL21775731 0.80 OPRK1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 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 (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-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP SIGMAR1 4583/4885JAK2 1041/4885JAK1 835/4885

“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.