SCHEMBL2547709

SCHEMBL2547709

CCOC(=O)CCCCn1cnc2c(N3CCC[C@@H]3C(O)c3cccc4ccc(O)cc34)ncnc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.36
CNR1 P21554 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TNF P01375 5/20 0.34
PIK3CD O00329 1/20 0.34
TLR7 Q9NYK1 4/20 0.33
AMPD2 Q01433 2/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2546306 0.86 PIK3CD (0.35) ALDH1A1PIK3CDPOLB
SCHEMBL2547711 0.84 METAP2 (0.41) EP300CNR1ALDH1A1CYP1A2CYP3A4
SCHEMBL2547707 0.84 METAP2 (0.41) EP300CNR1ALDH1A1CYP1A2CYP3A4
SCHEMBL23341959 0.78 METAP2 (0.40) EP300CNR1ALDH1A1CYP1A2CYP3A4
SCHEMBL12022033 0.77 METAP2 (0.39) EP300CNR1ALDH1A1CYP1A2CYP3A4
SCHEMBL12037953 0.77 METAP2 (0.40) EP300CNR1ALDH1A1MAPTTNF
SCHEMBL20450252 0.75 METAP2 (0.43) PIK3CDTLR7
SCHEMBL2544705 0.70 METAP2 (0.44) PIK3CD
SCHEMBL2544713 0.70 METAP2 (0.44) PIK3CD
SCHEMBL19254372 0.67 METAP2 (0.42) PIK3CD

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 EP300 2811/4885CNR1 4177/4885ALDH1A1 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.