SCHEMBL868055

SCHEMBL868055

O=C(c1ccc(-c2ccccc2)cc1)N1CC(N2CCN(c3nccs3)C(=O)C2)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 6/20 0.58
MGLL Q99685 8/20 0.47
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2B P41595 1/20 0.39

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
SCHEMBL868911 0.85 MGLL (0.49) SLC6A7MGLLALDH1A1POLBHPGD
SCHEMBL3771443 0.85 SLC6A7 (0.77) SLC6A7MGLLALDH1A1TSHRPOLB
SCHEMBL867597 0.85 SLC6A7 (0.54) SLC6A7MGLLALDH1A1TSHRPOLB
SCHEMBL868263 0.84 MGLL (0.71) SLC6A7MGLL
SCHEMBL868364 0.82 MEN1 (0.53) SLC6A7MGLLALDH1A1TSHRPOLB
SCHEMBL911408 0.79 MGLL (0.69) SLC6A7MGLLALDH1A1TSHRPOLB
SCHEMBL911279 0.79 MGLL (0.69) SLC6A7MGLLALDH1A1TSHRPOLB
SCHEMBL868229 0.76 MGLL (0.72) SLC6A7MGLLKMT2A
SCHEMBL867610 0.75 MGLL (0.71) MGLL
SCHEMBL3819990 0.74 SLC6A7 (1.00) SLC6A7MGLLALDH1A1TSHRPOLB

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-8637498-B2 Oxopiperazine-azetidine amides and oxodiazepine-azetidine amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-01-28 US disclosed
US-20120077797-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-29 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-20120077797-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS LPL, PNLIP, LIPA SLC6A7 2817/4885MGLL 6/4885ALDH1A1 624/4885

“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.