SCHEMBL876978

SCHEMBL876978

C1=C(N2CCOCC2)CCC2(C1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.38
LMNA P02545 2/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
RAB9A P51151 2/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2711074 0.88 KDM4E (0.35) LMNAALDH1A1KDM4E
SCHEMBL10263645 0.79 LMNA (0.34) LMNAAPOBEC3AAPOBEC3GALDH1A1MAPT
SCHEMBL13562310 0.77 LMNA (0.33) LMNAAPOBEC3AAPOBEC3GALDH1A1MAPT
SCHEMBL1160912 0.77 APOBEC3A (0.41) LGMNLMNAAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL9749472 0.72 MAPT (0.35) LMNAAPOBEC3AAPOBEC3GALDH1A1MAPT
SCHEMBL27793746 0.71 LMNA (0.43) LGMNLMNAAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL14630673 0.70 APOBEC3A (0.36) LMNAAPOBEC3AAPOBEC3GALDH1A1MAPT
SCHEMBL612703 0.67 LGMN (0.37) LGMNLMNAAPOBEC3GALDH1A1MAPT
SCHEMBL24716832 0.66 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14779490 0.66 POLB (0.31) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013148851-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2013-10-03 WO disclosed
US-20120277238-A1 PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE SHIONOGI & CO., LTD (JP) 2012-11-01 US disclosed
US-20120277238-A1 PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE SHIONOGI & CO., LTD (JP) 2012-11-01 US disclosed
US-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
EP-2460794-A1 PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE Shionogi & Co., Ltd. (JP) 2012-06-06 EP disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 WO disclosed
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 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 (3 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-20120277238-A1 PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE HRH4, HRH3, HRH2 LGMN 4875/4885LMNA 4319/4885APOBEC3A 4114/4885
US-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 LGMN 251/4885LMNA 616/4885APOBEC3A 3946/4885
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 LGMN 251/4885LMNA 616/4885APOBEC3A 3946/4885

“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.