SCHEMBL2543518

SCHEMBL2543518

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cccc2c1CCCC2=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ADRB3 P13945 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ ALOX5AP P20292 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ F2RL3 Q96RI0 2/20 0.45
▸ UCHL1 P09936 6/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EPHX2 P34913 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ ABCB1 P08183 2/20 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
SCHEMBL16105177 0.86 MRGPRX4 (0.51) ADRB2ADRB1HTR1AADRB3TSHR
SCHEMBL16105176 0.86 MRGPRX4 (0.51) ADRB2ADRB1HTR1AADRB3TSHR
SCHEMBL1397494 0.85 ADRB2 (0.46) ADRB2ADRB1HTR1AADRB3TSHR
SCHEMBL4343050 0.80 ALOX5AP (0.46) ALOX5APFEN1F2RL3UCHL1EPHX2
SCHEMBL4340518 0.80 ALOX5AP (0.46) ALOX5APFEN1F2RL3UCHL1EPHX2
SCHEMBL4660808 0.80 ALOX5AP (0.46) ALOX5APFEN1F2RL3UCHL1EPHX2
SCHEMBL12233033 0.80 CHRNB4 (0.56) —
SCHEMBL2200755 0.79 CHRNB4 (0.58) ALOX5APFEN1F2RL3
SCHEMBL6293563 0.79 F2RL3 (0.44) ALOX5APFEN1F2RL3UCHL1EPHX2
SCHEMBL2539185 0.79 F2RL3 (0.50) ALOX5APFEN1F2RL3

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 4 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
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2011-10-27 — — US disclosed
WO-2010003475-A2 NOVEL PYRROLIDONE DERIVATIVES FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2010-01-14 — — WO 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 ADRB2 3156/4885ADRB1 3975/4885HTR1A 2833/4885

“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.

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