Sugi Predict

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SCHEMBL8250758

SCHEMBL8250758

CC(C)(C)OC(=O)N1CCN(c2ccc(CN3CCCC3)cc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.50
▸ TDO2 P48775 1/20 0.50
▸ IDO2 Q6ZQW0 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ VEGFA P15692 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
SCHEMBL8250638 0.86 L3MBTL1 (0.52) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL8257190 0.85 L3MBTL1 (0.51) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL22957454 0.84 L3MBTL1 (0.50) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL6976827 0.84 L3MBTL1 (0.50) IDO1TDO2IDO2L3MBTL1MAPT
SCHEMBL29707420 0.84 L3MBTL1 (0.50) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL8259475 0.84 L3MBTL1 (0.50) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL8257445 0.83 L3MBTL1 (0.49) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL8256308 0.82 L3MBTL1 (0.48) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL13344713 0.82 L3MBTL1 (0.54) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL6970222 0.82 L3MBTL1 (0.48) L3MBTL1MAPTALDH1A1MEN1KMT2A

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-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 — — US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 — — US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 — — US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 — — 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 IDO1 1160/4885TDO2 919/4885IDO2 1230/4885

“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.