SCHEMBL13997533

SCHEMBL13997533

CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCN(C(=O)CC[C@H](NC(=O)CCOCCOCCNC(=O)CCC(=O)O[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 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 3/20 0.47
▸ TGM2 P21980 1/20 0.42
▸ FPR2 P25090 4/20 0.42
▸ AVPR2 P30518 3/20 0.40
▸ CHRM1 P11229 3/20 0.39
▸ PLA2G2A P14555 1/20 0.38
▸ EPHA2 P29317 1/20 0.37
▸ POLA1 P09884 1/20 0.36
▸ MMP2 P08253 1/20 0.36

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
SCHEMBL13997534 0.91 NPY4R (0.48) NPY4RTGM2FPR2AVPR2CHRM1
SCHEMBL13997532 0.77 NPY4R (0.47) NPY4RTGM2FPR2AVPR2CHRM1
SCHEMBL17244044 0.71 POLA1 (0.62) PLA2G2APOLA1
SCHEMBL26033570 0.70 POLA1 (0.59) PLA2G2APOLA1
SCHEMBL19115392 0.70 POLA1 (0.61) PLA2G2APOLA1
SCHEMBL10237707 0.70 POLA1 (0.53) PLA2G2AEPHA2POLA1
SCHEMBL10237709 0.70 POLA1 (0.53) PLA2G2AEPHA2POLA1
SCHEMBL10237713 0.70 POLA1 (0.53) PLA2G2AEPHA2POLA1
SCHEMBL17212338 0.69 POLA1 (0.54) PLA2G2AEPHA2POLA1
SCHEMBL17212336 0.69 POLA1 (0.54) PLA2G2AEPHA2POLA1

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 2249/4885TGM2 2625/4885FPR2 86/4885

“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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