SCHEMBL20028828

SCHEMBL20028828

COc1cc(C2(C#N)CCOC2)ccc1OCCCCl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.44
PDE4D Q08499 14/20 0.41
PDE4A P27815 13/20 0.41
PDE4C Q08493 13/20 0.41
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
FDPS P14324 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL20028645 0.93 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CFDPS
SCHEMBL20028829 0.82 SMN1; SMN2 (0.45) PDE4BMEN1KMT2ANPC1RAB9A
SCHEMBL20028827 0.78 ALDH1A1 (0.43) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL20028131 0.75 SMN1; SMN2 (0.48) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL3272142 0.71 POLB (0.43) PDE4BALDH1A1
SCHEMBL77276 0.71 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL20028646 0.70 ALDH1A1 (0.47) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL332555 0.70 PDE4A (0.45) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL12824882 0.70 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL558312 0.69 MEN1 (0.61) PDE4BPDE4DPDE4APDE4CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4105203-A1 SPIRO-CONDENSED INDOLE COMPOUNDS AS EHMT2 INHIBITORS Epizyme Inc (US) 2022-12-21 EP disclosed
US-20220274961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. 2022-09-01 US disclosed
EP-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed
EP-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed
US-20200039961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. 2020-02-06 US disclosed
US-20200039961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. 2020-02-06 US disclosed
EP-3519393-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme Inc (US) 2019-08-07 EP disclosed
WO-2018064557-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. (US) 2018-04-05 WO disclosed
WO-2018064557-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. (US) 2018-04-05 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-20200039961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS SHMT1, BHMT, EHMT2 PDE4B 3234/4885PDE4D 3853/4885PDE4A 3375/4885
US-20220274961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS SHMT1, BHMT, EHMT2 PDE4B 3234/4885PDE4D 3853/4885PDE4A 3375/4885

“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.