SCHEMBL13997534

SCHEMBL13997534

CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCN(C(=O)CC[C@H](NC(=O)CCOCCOCCNC)C(=O)NCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CO[C@H]4CC[C@@]5(C)C(=CCC6C5CC[C@@]5(C)C6CC[C@@H]5C(C)CCCC(C)C)C4)C(N)=O)CC3)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 3/20 0.48
▸ FPR2 P25090 4/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ CHRM1 P11229 3/20 0.38
▸ AVPR2 P30518 1/20 0.37
▸ APLNR P35414 3/20 0.37
▸ POLA1 P09884 1/20 0.37
▸ NPC1L1 Q9UHC9 2/20 0.37
▸ APP P05067 1/20 0.37

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
SCHEMBL13997533 0.91 NPY4R (0.47) NPY4RFPR2TGM2CHRM1AVPR2
SCHEMBL13997532 0.79 NPY4R (0.47) NPY4RFPR2TGM2CHRM1AVPR2
SCHEMBL17936735 0.68 POLA1 (0.75) POLA1NPC1L1APP
SCHEMBL8423171 0.67 POLA1 (0.71) POLA1NPC1L1APP
SCHEMBL13363899 0.66 POLA1 (0.55) POLA1NPC1L1
SCHEMBL22758436 0.66 CYP46A1 (0.54) POLA1NPC1L1
SCHEMBL16509072 0.66 POLA1 (0.52) POLA1NPC1L1APP
SCHEMBL13103119 0.66 NPY4R (0.53) NPY4RFPR2TGM2CHRM1AVPR2
SCHEMBL13363891 0.66 CYP46A1 (0.55) POLA1NPC1L1
SCHEMBL13363898 0.65 CYP46A1 (0.54) POLA1NPC1L1

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-20080317767-A1 Tripartitle Raftophilic Strutures and their Use MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2008-12-25 — — 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-20080317767-A1 Tripartitle Raftophilic Strutures and their Use FGB, CLTB, CD38 NPY4R 2249/4885FPR2 86/4885TGM2 2625/4885

“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.

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