SCHEMBL4877786

SCHEMBL4877786

CN(C)CCOC(=O)N1CCC(ON=C(c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2)c2ccc(F)cc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.36
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LSS P48449 1/20 0.33
MAPK14 Q16539 1/20 0.33
ACKR3 P25106 1/20 0.33
MGLL Q99685 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
SCHEMBL4877780 1.00 HSD11B1 (0.36) HSD11B1LMNASMN1; SMN2HTTJAK2
SCHEMBL4876860 0.88 ACKR3 (0.39) HSD11B1MAPK14ACKR3
SCHEMBL4876865 0.88 ACKR3 (0.39) HSD11B1MAPK14ACKR3
SCHEMBL4868318 0.87 HSD11B1 (0.41) HSD11B1LMNAMAPK14MGLL
SCHEMBL4868322 0.87 HSD11B1 (0.41) HSD11B1LMNAMAPK14MGLL
SCHEMBL4869007 0.87 SMN1; SMN2 (0.38) HSD11B1LMNASMN1; SMN2MAPK14
SCHEMBL4869004 0.87 SMN1; SMN2 (0.38) HSD11B1LMNASMN1; SMN2MAPK14
SCHEMBL4876874 0.85 KMT2A (0.40) HSD11B1MAPK14ACKR3
SCHEMBL4876884 0.85 KMT2A (0.40) HSD11B1MAPK14ACKR3
SCHEMBL4879524 0.85 ERBB2 (0.36) 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 HSD11B1 544/4885LMNA 2177/4885SMN1; SMN2 3234/4885

“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.