SCHEMBL867597

SCHEMBL867597

O=C(c1ccc(-c2ccccc2)cc1)N1CC(N2CCN(c3ncccn3)C(=O)C2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 15/20 0.54
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MGLL Q99685 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL868364 0.86 MEN1 (0.53) SLC6A7ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL868055 0.85 SLC6A7 (0.58) SLC6A7ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL694421 0.83 SLC6A7 (0.74) SLC6A7ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL868607 0.82 MGLL (0.49) ALDH1A1KDM4EMAPTHPGDMGLL
SCHEMBL911909 0.78 SLC6A7 (0.60) SLC6A7ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL912559 0.78 SLC6A7 (0.60) SLC6A7ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL15703668 0.76 ALDH1A1 (0.76) SLC6A7ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL15949476 0.76 HPGD (0.62) SLC6A7ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL867419 0.75 HRH3 (0.46) ALDH1A1L3MBTL1KDM4EMGLLMEN1
SCHEMBL868410 0.74 MGLL (0.77) HPGDMGLL

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 2817/4885ALDH1A1 624/4885TSHR 2695/4885

“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.