SCHEMBL2546306

SCHEMBL2546306

NC(=O)CCn1cnc2c(N3CCC[C@@H]3C(O)c3cccc4ccc(O)cc34)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.35
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL2547709 0.86 EP300 (0.36) PIK3CDALDH1A1POLB
SCHEMBL2544713 0.82 METAP2 (0.44) PIK3CDPDE10AADORA3ADORA2AADORA1
SCHEMBL2544705 0.82 METAP2 (0.44) PIK3CDPDE10AADORA3ADORA2AADORA1
SCHEMBL19254372 0.74 METAP2 (0.42) PIK3CD
SCHEMBL12022034 0.73 METAP2 (0.42) PIK3CDADORA3ADORA2AADORA1
SCHEMBL12037948 0.73 METAP2 (0.43) PIK3CDPOLBADORA3ADORA2AADORA1
SCHEMBL20450252 0.72 METAP2 (0.43) PIK3CDADORA3ADORA2AADORA1
SCHEMBL2547711 0.69 METAP2 (0.41) PIK3CDALDH1A1
SCHEMBL2547707 0.69 METAP2 (0.41) PIK3CDALDH1A1
SCHEMBL2544609 0.67 METAP2 (0.43) PIK3CDPDE10AADORA3ADORA2AADORA1

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-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 PIK3CD 4573/4885PDE10A 4789/4885ALDH1A1 3021/4885

“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.