SCHEMBL5207895

SCHEMBL5207895

NC(c1ccccc1)C1CCC[N]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
F2 P00734 1/20 0.37
IDO1 P14902 4/20 0.36
OPRM1 P35372 4/20 0.36
OPRD1 P41143 4/20 0.36
OPRK1 P41145 4/20 0.36
OPRL1 P41146 4/20 0.36
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKT2 P31751 1/20 0.33

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
SCHEMBL2254431 0.78 L3MBTL1 (0.33) IDO1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL9460799 0.78 EPHX1 (0.38) CYP3A4CYP1A2CYP2D6TSHRGAA
SCHEMBL9460882 0.78 EPHX1 (0.38) CYP3A4CYP1A2CYP2D6TSHRGAA
SCHEMBL3909948 0.78 GAA (0.41) CYP3A4CYP1A2CYP2D6GAAL3MBTL1
SCHEMBL9460794 0.78 EPHX1 (0.38) CYP3A4CYP1A2CYP2D6TSHRGAA
SCHEMBL2202292 0.74 GAA (0.37) IDO1CYP2D6TSHRGAAL3MBTL1
SCHEMBL2677106 0.70 IDO1 (0.50) DPP4F2IDO1OPRM1OPRD1
SCHEMBL11885874 0.70 IDO1 (0.50) DPP4F2IDO1OPRM1OPRD1
SCHEMBL20721292 0.70 IDO1 (0.55) DPP4F2IDO1OPRM1OPRD1
SCHEMBL2677194 0.70 IDO1 (0.55) DPP4F2IDO1OPRM1OPRD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725538-B1 PYRIDAZINONE UREAS AS ANTAGONISTS OF A4 INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2007-08-29 EP claimed
US-20050209232-A1 Pyridazinone ureas as antagonists of alpha4 integrins JANSSEN PHARMACEUTICA,N.V. (BE) 2005-09-22 US claimed
EP-1725538-B1 PYRIDAZINONE UREAS AS ANTAGONISTS OF A4 INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2007-08-29 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 (1 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-20050209232-A1 Pyridazinone ureas as antagonists of alpha4 integrins ITGA4, ITGB4, ITGB7 DPP4 912/4885F2 1258/4885IDO1 4505/4885

“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.