SCHEMBL8250828

SCHEMBL8250828

CC(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.53
TGM2 P21980 1/20 0.53
TGM1 P22735 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPY2R P49146 2/20 0.53
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NAMPT P43490 1/20 0.48
MAPT P10636 5/20 0.48
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL5421815 0.91 NPY2R (0.55) F13A1TGM2TGM1L3MBTL1NPY2R
SCHEMBL7846281 0.91 F13A1 (0.53) F13A1TGM2TGM1L3MBTL1NPY2R
SCHEMBL8259530 0.88 NPY2R (0.56) F13A1TGM2TGM1L3MBTL1NPY2R
SCHEMBL4004656 0.88 F13A1 (0.50) F13A1TGM2TGM1L3MBTL1NPY2R
SCHEMBL13532965 0.86 KDM4E (0.53) F13A1TGM2TGM1L3MBTL1NPY2R
SCHEMBL8250825 0.85 L3MBTL1 (0.59) F13A1TGM2TGM1L3MBTL1NPY2R
SCHEMBL13541839 0.85 KDM4E (0.57) F13A1TGM2TGM1L3MBTL1NPY2R
SCHEMBL30063444 0.85 L3MBTL1 (0.59) F13A1TGM2TGM1L3MBTL1NPY2R
SCHEMBL4563571 0.85 MEN1 (0.60) F13A1TGM2TGM1L3MBTL1NPY2R
SCHEMBL8432787 0.85 F13A1 (0.51) F13A1TGM2TGM1L3MBTL1NPY2R

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
WO-2010004394-A1 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 WO 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-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 F13A1 2860/4885TGM2 4419/4885TGM1 3591/4885

“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.