SCHEMBL21033475

SCHEMBL21033475

CCOC(=O)c1cn2c(n1)CCC(OC)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
GABRA2 P47869 6/20 0.39
GABRB2 P47870 6/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
SMO Q99835 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 2/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL21033472 0.85 GAA (0.41) GAAGABRA2GABRB2CYP1A2KDM4E
SCHEMBL23645329 0.84 GAA (0.37) GAAGABRA2GABRB2CYP1A2KDM4E
SCHEMBL21033485 0.84 GAA (0.40) GAAGABRA2GABRB2CYP1A2KDM4E
SCHEMBL21001603 0.84 NPC1 (0.41) GAAGABRA2GABRB2CYP1A2KDM4E
SCHEMBL21033955 0.83 RIPK1 (0.38) RXFP1
SCHEMBL21033479 0.81 GAA (0.39) GAAGABRA2GABRB2CYP1A2KDM4E
SCHEMBL21033257 0.81 KMT2A (0.39) GAAGABRA2GABRB2CYP1A2KDM4E
SCHEMBL21033481 0.81 KMT2A (0.39) GAAGABRA2GABRB2CYP1A2KDM4E
SCHEMBL21033255 0.81 KMT2A (0.39) GAAGABRA2GABRB2CYP1A2KDM4E
SCHEMBL21033483 0.80 GABRA2 (0.46) GAAGABRA2GABRB2CYP1A2KDM4E

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-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT EPISCRIBE LLC 2021-12-02 US disclosed
WO-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 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 (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-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 GAA 3971/4885GABRA2 4122/4885GABRB2 4062/4885

“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.