SCHEMBL4874582

SCHEMBL4874582

O=c1ccc(C(=NOC2CCN(CC3CC3)CC2)c2ccc(F)cc2F)cn1-c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.39
OPRK1 P41145 1/20 0.36
DRD2 P14416 3/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
HRH1 P35367 6/20 0.35
CCR3 P51677 6/20 0.35
HSD11B1 P28845 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL4874578 1.00 MAPK14 (0.39) MAPK14OPRK1DRD2HTR2AHTR2C
SCHEMBL4877778 0.91 MAPK14 (0.38) MAPK14SIGMAR1HSD11B1ALDH1A1
SCHEMBL4877782 0.91 MAPK14 (0.38) MAPK14SIGMAR1HSD11B1ALDH1A1
SCHEMBL4879578 0.90 HSD11B1 (0.35) MAPK14HTR2AHTR2CHSD11B1ALDH1A1
SCHEMBL4879571 0.90 HSD11B1 (0.35) MAPK14HTR2AHTR2CHSD11B1ALDH1A1
SCHEMBL4876842 0.89 CNR1 (0.36) MAPK14HSD11B1
SCHEMBL4868846 0.89 DRD4 (0.37) MAPK14HTR2AHTR2CSIGMAR1HSD11B1
SCHEMBL4876838 0.89 CNR1 (0.36) MAPK14HSD11B1
SCHEMBL4868838 0.89 DRD4 (0.37) MAPK14HTR2AHTR2CSIGMAR1HSD11B1
SCHEMBL4876874 0.88 KMT2A (0.40) MAPK14HSD11B1

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 MAPK14 13/4885OPRK1 343/4885DRD2 4799/4885

“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.