SCHEMBL2915341

SCHEMBL2915341

CNC(=O)C1CC[N]CCN1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.37
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
DPP7 Q9UHL4 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
SCHEMBL2919953 0.83 CHRNB2 (0.32) PRCPCHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL2912142 0.83 CHRNB2 (0.32) PRCPCHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL29542533 0.82
SCHEMBL25362808 0.82
SCHEMBL14606090 0.82
Hydrochloric Acid SCHEMBL5591813 0.80
SCHEMBL2918734 0.76 CYP2D6 (0.37)
SCHEMBL1174593 0.76
SCHEMBL1174591 0.76
SCHEMBL5616351 0.76

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 PRCP 3677/4885CHRNB2 3983/4885CHRNA4 4151/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 PRCP 2358/4885CHRNB2 4294/4885CHRNA4 4358/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 PRCP 1907/4885CHRNB2 4772/4885CHRNA4 4743/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 PRCP 3550/4885CHRNB2 2997/4885CHRNA4 3227/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 PRCP 1707/4885CHRNB2 4872/4885CHRNA4 4864/4885

“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.