SCHEMBL21733002

SCHEMBL21733002

CC(C)CN1CC2(CCCO2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
PIK3CD O00329 4/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CYP2D6 P10635 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
KCNH2 Q12809 1/20 0.31
RORC P51449 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
SCHEMBL26240876 0.94 MGLL (0.39) MGLLPIK3CDPDCD1LG2CD274CYP2D6
SCHEMBL20021314 0.90 MGLL (0.43) MGLLPIK3CDCYP2D6SMN1; SMN2CYP1A2
SCHEMBL25044979 0.87 MGLL (0.49) MGLLPIK3CDCYP2D6SMN1; SMN2CYP1A2
SCHEMBL3422922 0.83 KCNH2 (0.42) MGLLPIK3CDCYP2D6SMN1; SMN2CYP2C9
SCHEMBL26240870 0.81 MGLL (0.53) MGLLPIK3CDCYP2D6SMN1; SMN2CYP1A2
SCHEMBL27283086 0.81 MGLL (0.53) MGLLPIK3CDCYP2D6SMN1; SMN2CYP1A2
SCHEMBL15990378 0.78 PDCD1LG2 (0.35) PDCD1LG2CD274KCNH2
SCHEMBL27281819 0.77 MGLL (0.56) MGLLPIK3CDCYP2D6SMN1; SMN2CYP1A2
SCHEMBL27281807 0.77 MGLL (0.52) MGLLPIK3CDCYP2D6SMN1; SMN2CYP1A2
SCHEMBL24841890 0.77 MGLL (0.52) MGLLPIK3CDCYP2D6SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210308123-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2021-10-07 US disclosed
US-20210221796-A1 ANTIBACTERIAL COMPOUNDS BLACKSMITH MEDICINES, INC. 2021-07-22 US disclosed
WO-2020061375-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed
WO-2020037091-A1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS INNATE TUMOR IMMUNITY, INC. (US) 2020-02-20 WO 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-20210221796-A1 ANTIBACTERIAL COMPOUNDS SPOUT1, MRPL21, NRDC MGLL 1333/4885PIK3CD 913/4885PDCD1LG2 3980/4885
US-20210308123-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD MGLL 3829/4885PIK3CD 3368/4885PDCD1LG2 3056/4885

“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.