SCHEMBL2914156

SCHEMBL2914156

O=C(O)CCC1CNCC[N]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRB2 P47870 2/20 0.36
SLC6A12 P48065 2/20 0.36
SLC6A11 P48066 2/20 0.36
SLC6A13 Q9NSD5 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRA4 P48169 1/20 0.36
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
LMNA P02545 2/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL946963 0.84 KMT2A (0.32)
SCHEMBL715379 0.81 GABRA5 (0.47) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL947017 0.80 KMT2A (0.32)
SCHEMBL945759 0.79 KMT2A (0.37)
SCHEMBL2196127 0.78 GABRA5 (0.44) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL477202 0.76
SCHEMBL3505792 0.76
SCHEMBL945435 0.76 ATM (0.44) ITGB3ITGA2BALDH1A1
SCHEMBL6266022 0.75
SCHEMBL6969098 0.74 DGKA (0.39) LMNAALDH1A1

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 6 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-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP 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 (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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 SLC6A1 1251/4885GABRA5 2263/4885GABRB2 2357/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 SLC6A1 1341/4885GABRA5 1691/4885GABRB2 3006/4885

“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.