SCHEMBL4876865

SCHEMBL4876865

CN(C)CCN1CCC(ON=C(c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2)c2ccc(F)cc2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.39
MAPK14 Q16539 3/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
HSD11B1 P28845 2/20 0.35
MELK Q14680 2/20 0.32
WNT3A P56704 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL4876860 1.00 ACKR3 (0.39) ACKR3MAPK14MAPK13MAPK12MAPK11
SCHEMBL4875669 0.92 ACKR3 (0.40) ACKR3MAPK14MAPK13MAPK12MAPK11
SCHEMBL4875671 0.92 ACKR3 (0.40) ACKR3MAPK14MAPK13MAPK12MAPK11
SCHEMBL4879571 0.91 HSD11B1 (0.35) MAPK14HSD11B1
SCHEMBL4879578 0.91 HSD11B1 (0.35) MAPK14HSD11B1
SCHEMBL4877782 0.90 MAPK14 (0.38) MAPK14MAPK11HSD11B1DRD4DRD3
SCHEMBL4877778 0.90 MAPK14 (0.38) MAPK14MAPK11HSD11B1DRD4DRD3
SCHEMBL4876838 0.89 CNR1 (0.36) MAPK14HSD11B1
SCHEMBL4876842 0.89 CNR1 (0.36) MAPK14HSD11B1
SCHEMBL4876884 0.89 KMT2A (0.40) ACKR3MAPK14MAPK11HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US disclosed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 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-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof MAPK1, NOS1, NOS2 ACKR3 94/4885MAPK14 13/4885MAPK13 12/4885

“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.