SCHEMBL6414728

SCHEMBL6414728

CNCCC=C1C2=CC=CCC2=CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
SLC6A2 P23975 6/20 0.56
HRH1 P35367 6/20 0.56
CYP3A4 P08684 5/20 0.56
CYP1A2 P05177 5/20 0.56
CYP2D6 P10635 5/20 0.56
HTR2B P41595 5/20 0.56
KCNH2 Q12809 5/20 0.56
CHRM2 P08172 4/20 0.56
ADRA2A P08913 4/20 0.56
CHRM1 P11229 4/20 0.56
DRD2 P14416 4/20 0.56
ADRA2B P18089 4/20 0.56
ADRA2C P18825 4/20 0.56
CHRM3 P20309 4/20 0.56
HTR2A P28223 4/20 0.56
HTR2C P28335 4/20 0.56
SLC6A4 P31645 4/20 0.56
ADRA1A P35348 4/20 0.56
DRD3 P35462 4/20 0.56

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
SCHEMBL6414724 1.00 LMNA (0.56) LMNASLC6A2HRH1CYP3A4CYP1A2
SCHEMBL25203506 0.85 CYP3A4 (0.37) LMNASLC6A2HRH1CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL5607671 0.82 SLC6A2 (0.56) LMNASLC6A2HRH1CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL5607674 0.82 SLC6A2 (0.56) LMNASLC6A2HRH1CYP3A4CYP1A2
SCHEMBL4152765 0.78
SCHEMBL4152769 0.78
SCHEMBL20642088 0.78 SIGMAR1 (0.33) LMNASLC6A2HRH1CYP3A4CYP1A2
SCHEMBL20642101 0.78 HRH1 (0.41) LMNASLC6A2HRH1CYP3A4CYP1A2
SCHEMBL11139671 0.75 HTR6 (0.33) DRD2HTR6DRD4
Nortriptyline SCHEMBL1286980 0.72 SLC6A2 (1.00) LMNASLC6A2HRH1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050112069-A1 Pharmaceutical composition of a pde4 or pde 3/4 inhibitor and histamine receptor antagonist NYCOMED GMBH (DE) 2005-05-26 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-20050112069-A1 Pharmaceutical composition of a pde4 or pde 3/4 inhibitor and histamine receptor antagonist HRH4, PDE4A, PDE4B LMNA 4390/4885SLC6A2 2090/4885HRH1 11/4885

“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.