SCHEMBL4004656

SCHEMBL4004656

CNc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.50
TGM2 P21980 1/20 0.50
TGM1 P22735 1/20 0.50
NPY2R P49146 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 7/20 0.48
NAMPT P43490 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 2/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL7846281 0.88 F13A1 (0.53) F13A1TGM2TGM1NPY2RL3MBTL1
SCHEMBL5421815 0.88 NPY2R (0.55) F13A1TGM2TGM1NPY2RL3MBTL1
SCHEMBL8250828 0.88 F13A1 (0.53) F13A1TGM2TGM1NPY2RL3MBTL1
SCHEMBL34466018 0.86 MEN1 (0.58) F13A1TGM2TGM1NPY2RL3MBTL1
SCHEMBL8259530 0.86 NPY2R (0.56) F13A1TGM2TGM1NPY2RL3MBTL1
SCHEMBL22532774 0.84 SMN1; SMN2 (0.56) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL30221986 0.83 ESR2 (0.52) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL3929365 0.83 L3MBTL1 (0.55) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL4951947 0.83 ESR2 (0.52) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL8250825 0.83 L3MBTL1 (0.59) F13A1TGM2TGM1NPY2RL3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
WO-2009079597-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 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 (2 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
US-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R F13A1 391/4885TGM2 3221/4885TGM1 3698/4885

“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.