SCHEMBL21706216

SCHEMBL21706216

CC(C)(C)CCNC(=O)NCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
MLYCD O95822 2/20 0.40
EPHX1 P07099 6/20 0.37
KDM4C Q9H3R0 1/20 0.35
PDE10A Q9Y233 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
PRMT1 Q99873 1/20 0.31
ADORA2A P29274 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
SCHEMBL19543467 0.91 SIGMAR1 (0.46) SIGMAR1MLYCDEPHX1KDM4CPRMT1
SCHEMBL2824552 0.85 BCHE (0.36) EPHX1KDM4CDRD2DRD3ADORA2A
SCHEMBL23613282 0.84 EPHX1 (0.50) EPHX1DRD2DRD3PRMT1
SCHEMBL23874511 0.82 EPHX1 (0.54) SIGMAR1MLYCDEPHX1KDM4C
SCHEMBL12927098 0.82 EPHX1 (0.41) SIGMAR1MLYCDEPHX1KDM4C
SCHEMBL8070563 0.82 MEN1 (0.38) EPHX1KDM4CDRD2DRD3PRMT1
SCHEMBL11150877 0.80 SIGMAR1 (0.40) SIGMAR1MLYCDEPHX1KDM4C
SCHEMBL11148743 0.80 FAAH (0.37) EPHX1KDM4CDRD2DRD3PRMT1
SCHEMBL19303878 0.79 SIGMAR1 (0.42) SIGMAR1MLYCDEPHX1KDM4C
SCHEMBL13617058 0.79 SIGMAR1 (0.42) SIGMAR1MLYCDEPHX1KDM4C

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-11236103-B2 Bifunctional compounds BIOTHERYX, INC. (US) 2022-02-01 US disclosed
US-20200048277-A1 BIFUNCTIONAL COMPOUNDS BIOTHERYX, INC. 2020-02-13 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 (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-20200048277-A1 BIFUNCTIONAL COMPOUNDS CDK2, CDK6, CDK5 SIGMAR1 4656/4885MLYCD 1553/4885EPHX1 3438/4885
US-11236103-B2 Bifunctional compounds CDK2, CDK6, CDK5 SIGMAR1 4656/4885MLYCD 1553/4885EPHX1 3438/4885

“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.