SCHEMBL5456404

SCHEMBL5456404

O=C(c1cn(CCCN2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc12)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
HTR2A P28223 4/20 0.45
KCNH2 Q12809 3/20 0.45
DRD2 P14416 2/20 0.45
HTR2C P28335 2/20 0.45
IDO1 P14902 4/20 0.44
S1PR1 P21453 1/20 0.44
CNR2 P34972 6/20 0.44
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
CNR1 P21554 3/20 0.40

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
SCHEMBL14411613 0.88 CNR2 (0.48) HTR2AKCNH2DRD2HTR2CCNR2
Hydrochloric Acid SCHEMBL5451424 0.87 CNR2 (0.47) HTR2AKCNH2DRD2HTR2CCNR2
SCHEMBL5452512 0.86 CNR2 (0.51) HTR2AKCNH2DRD2HTR2CCNR2
SCHEMBL5464700 0.83 IDO1 (0.47) KDM4EHTR2AIDO1S1PR1CNR2
Hydrochloric Acid SCHEMBL5452031 0.82 CNR2 (0.43) HTR2AKCNH2DRD2HTR2CCNR2
SCHEMBL5454221 0.79 KDM4E (0.53) KDM4EHTR2AKCNH2IDO1S1PR1
SCHEMBL5450951 0.78 HTR7 (0.55) KDM4EIDO1S1PR1CNR2
SCHEMBL5444289 0.78 CHRM1 (0.51) KDM4EDRD2IDO1S1PR1CNR2
SCHEMBL5441604 0.78 KDM4E (0.46) KDM4EIDO1S1PR1CNR2HTT
SCHEMBL5455228 0.77 CNR2 (0.48) KDM4EHTR2AHTR2CIDO1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR KDM4E 3327/4885HTR2A 396/4885KCNH2 4294/4885

“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.