SCHEMBL2909712

SCHEMBL2909712

CNCCC1CNCCNC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
KCNH2 Q12809 1/20 0.31
SLC6A1 P30531 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRB2 P47870 2/20 0.30
SLC6A12 P48065 2/20 0.30
SLC6A11 P48066 2/20 0.30
SLC6A13 Q9NSD5 2/20 0.30
GABRA1 P14867 1/20 0.30
GABRR1 P24046 1/20 0.30
GABRA4 P48169 1/20 0.30
MAPT P10636 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
SCHEMBL18688613 0.90
SCHEMBL4602409 0.86
SCHEMBL7513919 0.86
SCHEMBL7573756 0.86
SCHEMBL2915647 0.83 KMT2A (0.44) SIGMAR1
SCHEMBL2909711 0.78
SCHEMBL2917727 0.78 CHKA (0.36) SIGMAR1
SCHEMBL2911869 0.76 SIGMAR1 (0.42) SIGMAR1MAPT
SCHEMBL2918261 0.76 CXCR4 (0.36)
SCHEMBL2916203 0.75 KCNH2 (0.33) KCNH2SLC6A1GABRA5GABRB2SLC6A12

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 12 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 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-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP 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-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 (5 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R SIGMAR1 1015/4885KCNH2 2346/4885SLC6A1 1557/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 SIGMAR1 743/4885KCNH2 2311/4885SLC6A1 1800/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 SIGMAR1 1082/4885KCNH2 2509/4885SLC6A1 1251/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 SIGMAR1 42/4885KCNH2 813/4885SLC6A1 872/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 SIGMAR1 3899/4885KCNH2 2295/4885SLC6A1 1341/4885

“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.