SCHEMBL4876838

SCHEMBL4876838

O=c1ccc(/C(=N\OC2CCN(CCN3CCOCC3)CC2)c2ccc(F)cc2F)cn1-c1c(Cl)cccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
BCL3 P20749 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
HSD11B1 P28845 1/20 0.34
MAPK14 Q16539 1/20 0.33
EPHX2 P34913 1/20 0.33
P2RX7 Q99572 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
SCHEMBL4876842 1.00 CNR1 (0.36) CNR1CNR2BCL3KMT2AMEN1
SCHEMBL4879578 0.92 HSD11B1 (0.35) HSD11B1MAPK14P2RX7
SCHEMBL4879571 0.92 HSD11B1 (0.35) HSD11B1MAPK14P2RX7
SCHEMBL4877510 0.91 HSD11B1 (0.35) KMT2AMEN1HSD11B1MAPK14P2RX7
SCHEMBL4877515 0.91 HSD11B1 (0.35) KMT2AMEN1HSD11B1MAPK14P2RX7
SCHEMBL4877778 0.90 MAPK14 (0.38) HSD11B1MAPK14
SCHEMBL4877782 0.90 MAPK14 (0.38) HSD11B1MAPK14
SCHEMBL4876860 0.89 ACKR3 (0.39) HSD11B1MAPK14
SCHEMBL4876865 0.89 ACKR3 (0.39) HSD11B1MAPK14
SCHEMBL4874582 0.89 MAPK14 (0.39) HSD11B1MAPK14

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 CNR1 1524/4885CNR2 1501/4885BCL3 1164/4885

“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.