SCHEMBL2919115

SCHEMBL2919115

COC(=O)CC1CCNCC[N]1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
EPHX1 P07099 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 1/20 0.31
GABRA5 P31644 3/20 0.31
GABRB2 P47870 3/20 0.31
GABRA1 P14867 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRE P78334 1/20 0.31
PMP22 Q01453 1/20 0.31
GABRA6 Q16445 1/20 0.31

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
SCHEMBL2920831 0.85 BRD4 (0.32) TSHRALDH1A1SMN1; SMN2BRD4GABRA5
SCHEMBL2650750 0.85 TSHR (0.33) TSHRHSD17B10BRD4GABRA5GABRB2
SCHEMBL2911152 0.84 POLB (0.36) ALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL2918420 0.79 GABRA5 (0.46) TSHREPHX1GABRA5GABRB2GABRA1
SCHEMBL3549456 0.77 EPHX2 (0.38) TSHRHSD17B10SMN1; SMN2BRD4GAA
SCHEMBL2918104 0.77 GLI1 (0.31) TSHRGABRA5GABRB2GABRA1GABRA4
SCHEMBL2918984 0.75 TSHR (0.31) TSHRHSD17B10SMN1; SMN2BRD4SLC6A1
SCHEMBL473986 0.74 EPHX1 (0.45) TSHREPHX1ALDH1A1SMN1; SMN2BRD4
SCHEMBL2918213 0.74
SCHEMBL2912286 0.73 TDP1 (0.32)

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 TSHR 4631/4885EPHX1 1559/4885HSD17B10 1334/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 TSHR 4671/4885EPHX1 666/4885HSD17B10 309/4885

“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.