SCHEMBL4915480

SCHEMBL4915480

O=C(Oc1ccc2c(c1)CCNCC2)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
HRH3 Q9Y5N1 4/20 0.43
HTR2C P28335 8/20 0.42
HTR2B P41595 7/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
HRH1 P35367 1/20 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
SCHEMBL7254526 0.91 ASIC3 (0.44) ADRA2AADRA2BADRA2CHRH3DRD2
SCHEMBL9053084 0.81 ADRA2A (0.50) ADRA2AADRA2BADRA2CHRH3HTR2C
Hydrochloric Acid SCHEMBL7283443 0.80 ADRA2A (0.49) ADRA2AADRA2BADRA2CHRH3HTR2C
Trifluoroacetic Acid SCHEMBL4915477 0.75 DRD2 (0.59) HTR2CHTR2BDRD2DRD1HTR2A
SCHEMBL6952795 0.73 ASIC3 (0.50) ADRA2AADRA2BADRA2CHRH3DRD2
SCHEMBL21762585 0.72 HRH3 (0.54) ADRA2AADRA2BADRA2CHRH3HTR2C
SCHEMBL21753264 0.72 ADRA2A (0.51) ADRA2AADRA2BADRA2CHRH3HTR2C
SCHEMBL3252072 0.72 PNMT (0.50) ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL21753240 0.71 HRH3 (0.52) ADRA2AADRA2BADRA2CHRH3HTR2C
Trifluoroacetic Acid SCHEMBL31013843 0.71 HRH3 (0.61) HRH3HTR2CHTR2AKCNH2

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-20080009479-A1 Tetrahydrobenzazepines as Histamine H3 Receptor Ligands GLAXO GROUP LIMITED (GB) 2008-01-10 US disclosed
EP-1735299-A1 TERTRAHYDROBENZAZEPINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed
WO-2005097778-A1 TETRAHYDROBENZAZEPINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-10-20 WO 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-20080009479-A1 Tetrahydrobenzazepines as Histamine H3 Receptor Ligands HRH3, HRH4, HRH1 ADRA2A 172/4885ADRA2B 102/4885ADRA2C 112/4885

“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.