SCHEMBL20889643

SCHEMBL20889643

CC(C)c1ccc(N(C)C)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.35
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
HIF1A Q16665 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
CRHR1 P34998 2/20 0.32
CYP2C9 P11712 1/20 0.32
RNASEH1 O60930 1/20 0.32
TYR P14679 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
KIF11 P52732 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
SCHEMBL12015801 0.83 NOTUM (0.41) LMNATRPA1PTGS1CACNA1CHIF1A
SCHEMBL14200344 0.77 LMNA (0.41) LMNATRPA1PTGS1CACNA1CHIF1A
SCHEMBL2098921 0.76 CYP1A2 (0.31) CYP2D6CYP1A2ALDH1A1
SCHEMBL16259646 0.74 CYP2D6 (0.41) CYP2D6CYP1A2TRPA1PTGS1CACNA1C
SCHEMBL24848636 0.74 CYP1A2 (0.41) CYP2D6CYP1A2LMNAALDH1A1GAA
SCHEMBL20909917 0.74 ALDH1A1 (0.41) CYP1A2LMNAPTGS1HIF1AALDH1A1
SCHEMBL22790526 0.74 LMNA (0.54) CYP2D6CYP1A2LMNATRPA1PTGS1
SCHEMBL12248233 0.74 LMNA (0.39) LMNATRPA1PTGS1CACNA1CHIF1A
SCHEMBL14328458 0.74 LMNA (0.48) LMNATRPA1PTGS1CACNA1CHIF1A
SCHEMBL26519517 0.73 CYP1A2 (0.36) CYP2D6CYP1A2LMNATRPA1PTGS1

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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 CYP2D6 2748/4885CYP1A2 3179/4885LMNA 3549/4885

“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.