SCHEMBL2918774

SCHEMBL2918774

O=C(O)CC1CNCCNC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 6/20 0.75
SLC6A13 Q9NSD5 6/20 0.75
SLC6A12 P48065 5/20 0.75
SLC6A1 P30531 4/20 0.75
GABRA5 P31644 2/20 0.75
GABRB2 P47870 2/20 0.75
GABRA1 P14867 1/20 0.75
GABRR1 P24046 1/20 0.75
GABRA4 P48169 1/20 0.75
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGB2 P05107 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGA5 P08648 1/20 0.37

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
SCHEMBL30299155 1.00 SLC6A11 (0.75) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5
SCHEMBL2569289 0.90
Hydrochloric Acid SCHEMBL177340 0.87
SCHEMBL2450833 0.86
SCHEMBL374930 0.86
SCHEMBL24478321 0.86
Hydrochloric Acid SCHEMBL22655757 0.84 SLC6A1 (0.96) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5
Hydrochloric Acid SCHEMBL21774701 0.84 SLC6A1 (0.96) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5
Hydrochloric Acid SCHEMBL21774704 0.84 SLC6A1 (0.96) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5
SCHEMBL1225755 0.82 SLC6A1 (0.77) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5

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 SLC6A11 1835/4885SLC6A13 2091/4885SLC6A12 4431/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 SLC6A11 1866/4885SLC6A13 2228/4885SLC6A12 4576/4885

“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.