SCHEMBL4236303

SCHEMBL4236303

O=C(O)c1ccc(CCNCCCN2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.58
SIGMAR1 Q99720 4/20 0.55
HRH3 Q9Y5N1 3/20 0.49
SMYD2 Q9NRG4 2/20 0.48
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
HDAC1 Q13547 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
LTA4H P09960 1/20 0.44
MCHR1 Q99705 1/20 0.44

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
SCHEMBL16511543 0.87 SCN5A (0.72) SCN5ASIGMAR1HRH3HRH1LTA4H
SCHEMBL22386773 0.86 LTA4H (0.59) SIGMAR1HRH3HRH1KCNH2LTA4H
SCHEMBL2741684 0.86 LTA4H (0.59) SIGMAR1HRH3HRH1KCNH2LTA4H
SCHEMBL16511226 0.85 SCN5A (0.69) SCN5ASIGMAR1HRH3HRH1LTA4H
Hydrochloric Acid SCHEMBL227403 0.84 LTA4H (0.58) SIGMAR1HRH3HRH1KCNH2LTA4H
SCHEMBL4767153 0.83 SIGMAR1 (0.63) SIGMAR1HRH3MAPTHDAC1HRH1
Hydrochloric Acid SCHEMBL6596661 0.83 LTA4H (0.59) SIGMAR1HRH3HRH1KCNH2LTA4H
SCHEMBL9866577 0.83 SIGMAR1 (0.79) SCN5ASIGMAR1HRH3LTA4H
SCHEMBL7031548 0.82 HRH3 (0.62) SIGMAR1HRH3KCNH2
SCHEMBL2741683 0.82 HRH3 (0.62) SIGMAR1HRH3KCNH2

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R SCN5A 499/4885SIGMAR1 303/4885HRH3 210/4885

“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.