SCHEMBL2914841

SCHEMBL2914841

CNC(=O)C1CCN(C)CCN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 2/20 0.36
▸ DPP4 P27487 1/20 0.33
▸ CCR2 P41597 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GRIN2D O15399 2/20 0.32
▸ GRIN3B O60391 2/20 0.32
▸ THRB P10828 2/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2A Q12879 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ GRIN2C Q14957 2/20 0.32
▸ GRIN3A Q8TCU5 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ CHRNB2 P17787 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
SCHEMBL2920433 0.84 CCR2 (0.40) CCR2KCNH2GRIN2DGRIN3BTHRB
SCHEMBL15072877 0.84 CCR2 (0.40) CCR2KCNH2GRIN2DGRIN3BTHRB
SCHEMBL14606090 0.80 — —
SCHEMBL29542533 0.80 — —
SCHEMBL25362808 0.80 — —
SCHEMBL2915872 0.79 MAPT (0.41) GRIN2DGRIN3BTHRBGRIN1GRIN2A
Hydrochloric Acid SCHEMBL5591813 0.78 — —
SCHEMBL2916230 0.78 GLI1 (0.37) DPP4
SCHEMBL25095589 0.75 RIPK1 (0.35) DPP4
SCHEMBL2911595 0.75 GLI1 (0.43) DPP4BCHE

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 3677/4885DPP4 3386/4885CCR2 545/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 PRCP 2358/4885DPP4 3499/4885CCR2 2523/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 PRCP 1907/4885DPP4 440/4885CCR2 1765/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 PRCP 3550/4885DPP4 2303/4885CCR2 2462/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 PRCP 1707/4885DPP4 1243/4885CCR2 1635/4885

“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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