SCHEMBL20045019

SCHEMBL20045019

CC(C)c1cccc(NC2CCOC[C@@H]2C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.35
CCR5 P51681 3/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
FADS1 O60427 1/20 0.33
KIF11 P52732 1/20 0.33
ICMT O60725 1/20 0.33
BACE1 P56817 1/20 0.33
LMNA P02545 1/20 0.33
CA2 P00918 1/20 0.32
AKT1 P31749 1/20 0.32
IDO1 P14902 1/20 0.32
SYK P43405 2/20 0.32

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
SCHEMBL20252397 1.00 CCR2 (0.35) CCR2CCR5GRIN2DGRIN3BGRIN1
SCHEMBL19633854 0.85 CDK4 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15830031 0.82 SYK (0.43) ICMTLMNASYKKCNH2MAPK3
SCHEMBL16220679 0.82 SYK (0.43) ICMTLMNASYKKCNH2MAPK3
SCHEMBL18672877 0.82 BACE1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12963661 0.79 PRMT5 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18466160 0.78 CCR2 (0.36) CCR2CCR5RXFP1KIF11ICMT
SCHEMBL21297299 0.78 SMN1; SMN2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18466164 0.78 CCR2 (0.36) CCR2CCR5RXFP1KIF11ICMT
SCHEMBL21297294 0.78 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20180098987-A1 PRMT5 Inhibitors and Uses Thereof Epizyme, Inc. (US) 2018-04-12 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-20180098987-A1 PRMT5 Inhibitors and Uses Thereof PRMT5, PRMT1, PRMT6 CCR2 3814/4885CCR5 2188/4885GRIN2D 2910/4885

“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.