SCHEMBL4868872

SCHEMBL4868872

COc1cccc(C)c1-n1cc(/C(=N/OC2CCNCC2)c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.34
HTR1A P08908 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 1/20 0.34
HSD11B1 P28845 5/20 0.33
LMNA P02545 2/20 0.32
KMT2A Q03164 1/20 0.32
APLNR P35414 3/20 0.32
MAPK14 Q16539 2/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4868877 1.00 GPR6 (0.34) GPR6HTR1ASLC6A2SLC6A4HSD11B1
SCHEMBL4877974 0.95 HSD11B1 (0.34) HTR1ASLC6A2HSD11B1LMNAKMT2A
SCHEMBL4877967 0.95 HSD11B1 (0.34) HTR1ASLC6A2HSD11B1LMNAKMT2A
SCHEMBL4871343 0.94 HTR1A (0.34) GPR6HTR1ASLC6A2SLC6A4HSD11B1
SCHEMBL4871335 0.94 HTR1A (0.34) GPR6HTR1ASLC6A2SLC6A4HSD11B1
SCHEMBL4879095 0.90 MAPK14 (0.37) HTR1ASLC6A2SLC6A4HSD11B1MAPK14
SCHEMBL4874083 0.90 KMT2A (0.38) GPR6HSD11B1LMNAKMT2AAPLNR
SCHEMBL4874077 0.90 KMT2A (0.38) GPR6HSD11B1LMNAKMT2AAPLNR
SCHEMBL4879098 0.90 MAPK14 (0.37) HTR1ASLC6A2SLC6A4HSD11B1MAPK14
SCHEMBL4868473 0.90 HTR1A (0.32) HTR1ASLC6A2SLC6A4

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 4 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 claimed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP claimed
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 GPR6 852/4885HTR1A 3509/4885SLC6A2 1777/4885

“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.