SCHEMBL4733726

SCHEMBL4733726

CN(C)CCC(=O)c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.70
THRB P10828 6/20 0.70
ALDH1A1 P00352 5/20 0.70
LMNA P02545 4/20 0.70
HRH2 P25021 4/20 0.70
HRH1 P35367 4/20 0.70
CYP1A2 P05177 1/20 0.70
CHRM2 P08172 1/20 0.70
CHRM4 P08173 1/20 0.70
CHRM5 P08912 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
ADRA2C P18825 1/20 0.70
DRD4 P21917 1/20 0.70
ACHE P22303 1/20 0.70
SLC6A2 P23975 1/20 0.70
HTR2A P28223 1/20 0.70
ADRA1A P35348 1/20 0.70
SLC6A3 Q01959 1/20 0.70
PDE4D Q08499 1/20 0.70

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
SCHEMBL491776 0.86 HRH2 (0.83) HRH3THRBALDH1A1LMNAHRH2
SCHEMBL5856363 0.85 HRH2 (0.81) HRH3THRBALDH1A1LMNAHRH2
SCHEMBL492212 0.85 HRH3 (0.77) HRH3THRBALDH1A1LMNAHRH2
SCHEMBL14287851 0.84 HRH3 (0.63) HRH3THRBALDH1A1LMNAHRH2
SCHEMBL492239 0.83 HRH3 (0.78) HRH3THRBALDH1A1LMNAHRH2
SCHEMBL3577355 0.83 HRH3 (0.79) HRH3ACHESLC6A2KCNH2
Iodide SCHEMBL11221395 0.82 HRH2 (0.85) HRH3THRBALDH1A1LMNAHRH2
SCHEMBL14287849 0.82 GLA (0.61) HRH3THRBALDH1A1LMNAHRH2
Dyclonine SCHEMBL25773 0.82 THRB (1.00) HRH3THRBALDH1A1LMNAHRH2
SCHEMBL29766083 0.82 THRB (1.00) HRH3THRBALDH1A1LMNAHRH2

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-20080139564-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 US disclosed
WO-2008064036-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-29 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-20080139564-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS HRH3, SLC6A4, HNMT HRH3 1/4885THRB 329/4885ALDH1A1 2852/4885

“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.