SCHEMBL16589734

SCHEMBL16589734

CN(C)CCNC(=O)C(CCCCN)NC(=O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49
▸ GRIA1 P42261 1/20 0.45
▸ NMT1 P30419 6/20 0.43
▸ NMT2 O60551 5/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ GNAI3 P08754 1/20 0.38
▸ GNAO1 P09471 1/20 0.38
▸ GNAI1 P63096 1/20 0.38
▸ TLR2 O60603 2/20 0.37
▸ CPB2 Q96IY4 2/20 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
SCHEMBL16589724 0.88 SIRT6 (0.55) SIRT6SIRT1GRIA1NMT1NMT2
SCHEMBL16589718 0.84 GRIA1 (0.38) SIRT6SIRT1GRIA1
SCHEMBL16589733 0.83 GRIA1 (0.36) GRIA1
SCHEMBL16589720 0.81 CCKBR (0.44) —
SCHEMBL16589717 0.80 KDM4E (0.37) GRIA1NMT1NMT2CA1CA2
SCHEMBL16589728 0.80 CTSS (0.44) CA2
SCHEMBL16589713 0.80 GRIA1 (0.37) GRIA1MMP1
SCHEMBL16589716 0.79 KDM4E (0.36) GRIA1CA1CA2
SCHEMBL16589719 0.78 CAPN1 (0.44) MMP1
SCHEMBL19756273 0.78 KDM4E (0.36) GRIA1MMP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150087688-A1 PRODRUGS OF HYDROXYL-COMPRISING DRUGS ASCENDIS PHARMA GMBH (DE) 2015-03-26 — — US disclosed
US-20150087688-A1 PRODRUGS OF HYDROXYL-COMPRISING DRUGS ASCENDIS PHARMA GMBH (DE) 2015-03-26 — — 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-20150087688-A1 PRODRUGS OF HYDROXYL-COMPRISING DRUGS ABCB1, CYP2D6, LDHA SIRT6 1290/4885SIRT1 789/4885GRIA1 3272/4885

“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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