SCHEMBL2917744

SCHEMBL2917744

CN1CCNCCC1CN

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
NCF1 P14598 1/20 0.35
GNAO1 P09471 5/20 0.33
GNAI3 P08754 4/20 0.33
GNAI1 P63096 4/20 0.33
RAD52 P43351 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
SCHEMBL2915627 0.84 CYP1A2 (0.35) GNAO1GNAI3GNAI1
SCHEMBL24114784 0.81 GNAO1 (0.37) GNAO1GNAI3GNAI1RAD52
SCHEMBL2804039 0.81
SCHEMBL2916321 0.81 GNAO1 (0.33) GNAO1GNAI3GNAI1RAD52
SCHEMBL25565524 0.78 RAD52 (0.37) GNAO1GNAI3GNAI1RAD52
SCHEMBL18567619 0.78 GNAO1 (0.40) GNAO1GNAI3GNAI1
SCHEMBL21738973 0.77
SCHEMBL35210875 0.77
SCHEMBL35211119 0.77
SCHEMBL2921511 0.76 GNAI3 (0.31) GNAO1GNAI3GNAI1

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 HTT 3347/4885NCF1 809/4885GNAO1 357/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 HTT 3365/4885NCF1 831/4885GNAO1 719/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 HTT 2730/4885NCF1 398/4885GNAO1 1601/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 HTT 3417/4885NCF1 2184/4885GNAO1 360/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 HTT 2548/4885NCF1 547/4885GNAO1 1339/4885

“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.