SCHEMBL4236267

SCHEMBL4236267

CCCN(C(=O)c1ccc(OC23CCCC(CC2)N3CC(C)(C)C(=O)O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
ACHE P22303 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TBXA2R P21731 9/20 0.35
POLB P06746 1/20 0.35
LPAR1 Q92633 2/20 0.34
LPAR5 Q9H1C0 2/20 0.34
TTR P02766 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4233730 0.94 KCNH2 (0.36) KCNH2ACHEALDH1A1TBXA2RPOLB
SCHEMBL4226767 0.91 ALDH1A1 (0.36) KCNH2ALDH1A1TBXA2RLPAR1LPAR5
SCHEMBL4235504 0.88 ALDH1A1 (0.41) KCNH2ACHEALDH1A1TBXA2RPOLB
SCHEMBL4237116 0.85 MEN1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL4226943 0.84 ACHE (0.35) ACHEPOLBLPAR1LPAR5TTR
SCHEMBL4236446 0.79 MCHR1 (0.35) ACHE
SCHEMBL4688703 0.78 MEN1 (0.40) KCNH2ALDH1A1TBXA2RLPAR1LPAR5
SCHEMBL4228368 0.78 LPAR1 (0.39) ACHELPAR1LPAR5
SCHEMBL4231972 0.77 ALDH1A1 (0.40) KCNH2ALDH1A1TBXA2RLPAR1LPAR5
SCHEMBL4233453 0.73 ACHE (0.39) KCNH2ACHEALDH1A1TBXA2RLPAR1

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 KCNH2 1304/4885ACHE 560/4885ALDH1A1 4542/4885

“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.