SCHEMBL2542801

SCHEMBL2542801

Brc1nc2c(N3CCCC3COc3cccc4ccccc34)ncnc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 13/20 0.65
FFAR2 O15552 1/20 0.40
FAAH O00519 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL2542798 1.00 METAP2 (0.65) METAP2FFAR2FAAHNOS3NOS1
SCHEMBL12233044 0.90 METAP2 (0.66) METAP2FFAR2FAAHNOS3NOS1
SCHEMBL7980098 0.89 METAP2 (0.65) METAP2FFAR2FAAHNOS3NOS1
SCHEMBL2544578 0.85 METAP2 (0.73) METAP2FFAR2FAAHNOS3NOS1
SCHEMBL1396808 0.85 METAP2 (0.73) METAP2FFAR2FAAHNOS3NOS1
SCHEMBL2539728 0.82 METAP2 (0.61) METAP2FFAR2FAAHNOS3NOS1
SCHEMBL2539733 0.82 METAP2 (0.61) METAP2FFAR2FAAHNOS3NOS1
SCHEMBL2548665 0.79 METAP2 (0.71) METAP2FAAH
SCHEMBL2548670 0.79 METAP2 (0.71) METAP2FAAH
SCHEMBL14984950 0.78 METAP2 (0.51) METAP2FFAR2NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288351-B1 NOVEL PYRROLIDONE DERIVATIVES FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2018-08-08 EP claimed
US-8846694-B2 Pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2014-09-30 US claimed
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2011-10-27 US claimed
US-8846694-B2 Pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2011-10-27 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-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors METAP2, METAP1, ENPEP METAP2 1/4885FFAR2 3574/4885FAAH 2378/4885

“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.