SCHEMBL2914778

SCHEMBL2914778

O=C(O)N1CC=CCN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HTR2C P28335 1/20 0.48
P2RX4 Q99571 2/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP2C19 P33261 1/20 0.47
P2RX1 P51575 1/20 0.47
P2RX3 P56373 1/20 0.47
MAPK1 P28482 2/20 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
SCHEMBL2914776 0.95 KMT2A (0.54) KMT2AMEN1NPSR1PSEN1PSEN2
SCHEMBL2918265 0.89 ALDH1A1 (0.50) KMT2AMEN1NPSR1PSEN1PSEN2
SCHEMBL14030742 0.84 KMT2A (0.54) KMT2AMEN1NPSR1PSEN1PSEN2
SCHEMBL7279646 0.84 KMT2A (0.54) KMT2AMEN1NPSR1NPC1RAB9A
SCHEMBL92054 0.81 KMT2A (0.62) KMT2AMEN1NPSR1PSEN1PSEN2
SCHEMBL16612115 0.81 KMT2A (0.58) KMT2AMEN1NPSR1NPC1RAB9A
SCHEMBL4740593 0.78 NPC1 (0.43) KMT2AMEN1NPSR1PSEN1PSEN2
SCHEMBL9354941 0.75 ALDH1A1 (0.53) KMT2AMEN1NPSR1NPC1RAB9A
SCHEMBL9358292 0.75 ALDH1A1 (0.53) KMT2AMEN1NPSR1NPC1RAB9A
SCHEMBL376817 0.75 MEN1 (0.58) KMT2AMEN1NPSR1PSEN1PSEN2

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
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP 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 (3 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 KMT2A 3446/4885MEN1 3587/4885NPSR1 1475/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 KMT2A 4370/4885MEN1 4127/4885NPSR1 718/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 KMT2A 1719/4885MEN1 3847/4885NPSR1 2850/4885

“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.