SCHEMBL21501967

SCHEMBL21501967

CC(C)CN[C@H]1C[C@@H](C)C1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
EPHX1 P07099 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL25769738 0.83 TSHR (0.42) HTTEPHX1KDM4E
SCHEMBL24820623 0.80 HTT (0.39) HTTEPHX1KDM4E
SCHEMBL24671597 0.80
SCHEMBL24818708 0.80 HTT (0.39) HTTEPHX1KDM4E
SCHEMBL23711913 0.77 GLB1 (0.36) HTTEPHX1KDM4E
SCHEMBL21501969 0.77 HTT (0.31) HTTEPHX1
SCHEMBL27281270 0.77 GLB1 (0.36) HTTEPHX1KDM4E
SCHEMBL27282439 0.77 GLB1 (0.36) HTTEPHX1KDM4E
SCHEMBL12385842 0.77 KDM4E (0.38) HTTEPHX1KDM4E
SCHEMBL24972574 0.75 HTT (0.31) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 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-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP HTT 2300/4885EPHX1 1725/4885KDM4E 730/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP HTT 2300/4885EPHX1 1725/4885KDM4E 730/4885

“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.