SCHEMBL20151856

SCHEMBL20151856

O=C(O)COc1cc(Cl)ccc1CN1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.61
PTGDR2 Q9Y5Y4 11/20 0.55
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
Hydrochloric Acid SCHEMBL20137011 0.99 MGLL (0.60) MGLLPTGDR2MAPTTDP1KDM4E
Hydrochloric Acid SCHEMBL29561336 0.99 MGLL (0.60) MGLLPTGDR2MAPTTDP1KDM4E
SCHEMBL4106882 0.90 PTGDR2 (0.67) PTGDR2MAPT
SCHEMBL20570570 0.80 MGLL (0.48) MGLLPTGDR2KDM4EALDH1A1
SCHEMBL30457753 0.80 MGLL (0.48) MGLLPTGDR2KDM4EALDH1A1
SCHEMBL28322529 0.78 DDR1 (0.49) MGLL
SCHEMBL28887675 0.78 DDR1 (0.42) MGLLTDP1KDM4EALDH1A1
SCHEMBL4274174 0.77 HTR3E (0.60) PTGDR2MAPTTDP1
Succinic Acid SCHEMBL31581233 0.76 PTGDR2 (0.52) PTGDR2KDM4E
SCHEMBL20137042 0.76 MGLL (1.00) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 US disclosed
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 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-20180134674-A1 MAGL INHIBITORS MAG, MAGI3, MGLL MGLL 3/4885PTGDR2 1360/4885MAPT 827/4885

“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.