SCHEMBL2911595

SCHEMBL2911595

CN1CCNC(C(=O)N(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLI1 P08151 1/20 0.43
▸ DPP4 P27487 2/20 0.36
▸ SCN4A P35499 1/20 0.35
▸ BCHE P06276 1/20 0.31
▸ CHRM4 P08173 1/20 0.30
▸ CHRM5 P08912 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 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
SCHEMBL2918179 0.84 GLI1 (0.41) GLI1DPP4BCHE
SCHEMBL3827585 0.80 — —
SCHEMBL5783272 0.80 — —
SCHEMBL2915872 0.79 MAPT (0.41) —
Hydrochloric Acid SCHEMBL1465426 0.78 GLI1 (0.53) GLI1DPP4SCN4A
Hydrochloric Acid SCHEMBL5781919 0.78 GLI1 (0.53) GLI1DPP4SCN4A
SCHEMBL2916230 0.78 GLI1 (0.37) GLI1DPP4
SCHEMBL25095589 0.75 RIPK1 (0.35) DPP4
SCHEMBL2914841 0.75 PRCP (0.36) DPP4BCHE
SCHEMBL255493 0.75 GLI1 (0.66) GLI1DPP4SCN4A

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 GLI1 477/4885DPP4 3386/4885SCN4A 3701/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 GLI1 1519/4885DPP4 3499/4885SCN4A 2814/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 GLI1 1146/4885DPP4 440/4885SCN4A 3158/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 GLI1 2064/4885DPP4 2303/4885SCN4A 1387/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 GLI1 690/4885DPP4 1243/4885SCN4A 2425/4885

“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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