SCHEMBL20028645

SCHEMBL20028645

COc1cc(C2(C#N)CCOCC2)ccc1OCCCCl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.48
PDE4A P27815 14/20 0.45
PDE4C Q08493 14/20 0.45
PDE4D Q08499 14/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FDPS P14324 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
SCHEMBL20028828 0.93 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL20028131 0.81 SMN1; SMN2 (0.48) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL3272142 0.78 POLB (0.43) PDE4BALDH1A1
SCHEMBL332555 0.77 PDE4A (0.45) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL20028646 0.77 ALDH1A1 (0.47) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL77276 0.76 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL20028829 0.75 SMN1; SMN2 (0.45) PDE4BMEN1KMT2ANPC1RAB9A
SCHEMBL7586503 0.74 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL12824882 0.74 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL2827366 0.73 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DMEN1

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 3234/4885PDE4A 3375/4885PDE4C 3794/4885
US-20220274961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS SHMT1, BHMT, EHMT2 PDE4B 3234/4885PDE4A 3375/4885PDE4C 3794/4885

“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.