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 — —
SCHEMBL7513919 0.86 — —
SCHEMBL4602409 0.86 — —
SCHEMBL7573756 0.86 — —
SCHEMBL2915647 0.83 KMT2A (0.44) SIGMAR1
SCHEMBL2917727 0.78 CHKA (0.36) SIGMAR1
SCHEMBL2909711 0.78 — —
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.

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