SCHEMBL2916281

SCHEMBL2916281

CN1CCNCC(C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.47
SLC6A11 P48066 3/20 0.47
SLC6A13 Q9NSD5 3/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GABRA5 P31644 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRA1 P14867 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRE P78334 1/20 0.39
PMP22 Q01453 1/20 0.39
GABRA6 Q16445 1/20 0.39

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
SCHEMBL2916473 0.83 KDM4E (0.48) SLC6A1SLC6A11SLC6A13TSHRLMNA
SCHEMBL2918464 0.80 DPP4 (0.39) SLC6A1SLC6A11SLC6A13TSHRLMNA
SCHEMBL2920791 0.80 CHRNB2 (0.44) SLC6A1SLC6A11SLC6A13TSHRLMNA
SCHEMBL28754806 0.80 CHRNB2 (0.44) SMN1; SMN2CHRNB2CHRNA3CHRNA4
SCHEMBL20276631 0.77 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1MAPTCYP1A2
SCHEMBL25260992 0.77 SIGMAR1 (0.31) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL2915340 0.76 SLC6A1 (0.58) SLC6A1SLC6A11SLC6A13TSHRGABRA5
SCHEMBL7370930 0.73 ATM (0.37) ALDH1A1CHRNB2CHRNA3CHRNA4KDM4E
SCHEMBL992118 0.73
SCHEMBL1661387 0.73

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 1251/4885SLC6A11 1835/4885SLC6A13 2091/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 SLC6A1 1341/4885SLC6A11 1866/4885SLC6A13 2228/4885

“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.