SCHEMBL6132697

SCHEMBL6132697

CCOC(=O)c1ccc(N2CCC(OC)(C3CCCCC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 8/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
P2RX3 P56373 1/20 0.43
MAPK1 P28482 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FDFT1 P37268 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6380498 0.99 HTT (0.45) SIRT2SIRT1HPGDHTTMEN1
SCHEMBL6132336 0.90 ALDH1A1 (0.51) SIRT2SIRT1HPGDHTTMEN1
SCHEMBL13099125 0.88 ALDH1A1 (0.51) HTTMEN1KMT2AALDH1A1NPC1
SCHEMBL13099171 0.84 USP2 (0.52) HPGDMEN1KMT2AALDH1A1NPC1
SCHEMBL13273660 0.84 MAPT (0.49) HPGDMEN1KMT2AALDH1A1NPC1
SCHEMBL6132402 0.83 ALDH1A1 (0.46) HPGDMEN1KMT2AALDH1A1NPC1
SCHEMBL6134128 0.83 MKNK1 (0.47) SIRT2SIRT1FDFT1
SCHEMBL6132324 0.83 HDAC3 (0.43) HPGDMEN1KMT2AALDH1A1NPC1
SCHEMBL13099080 0.83 GSK3B (0.50) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6134125 0.82 SIRT2 (0.41) SIRT2SIRT1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO 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-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 SIRT2 4220/4885SIRT1 3477/4885HPGD 3020/4885

“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.