SCHEMBL6132549

SCHEMBL6132549

COCCCCOCC1CCN(c2ccc(-c3nnc(-c4ccc(C(=O)OC)cc4)s3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CHRM4 P08173 1/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2A1 P68400 2/20 0.39
PDE4D Q08499 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE6D O43924 1/20 0.39
USP2 O75604 1/20 0.38
GLS O94925 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
WNT3A P56704 2/20 0.36
DGAT1 O75907 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
SCHEMBL6132414 0.99 ALDH1A1 (0.40) ALDH1A1CHRM4CSNK2A2CSNK2A1PDE4D
SCHEMBL6132167 0.91 CSNK2A2 (0.46) CSNK2A2CSNK2A1USP2GLSHRH3
SCHEMBL6132353 0.90 CSNK2A2 (0.45) CSNK2A2CSNK2A1USP2GLSHRH3
SCHEMBL6132272 0.86 ALDH1A1 (0.41) ALDH1A1CSNK2A2CSNK2A1PDE4DPDE7A
SCHEMBL6934067 0.86 ALDH1A1 (0.41) ALDH1A1CSNK2A2CSNK2A1PDE4DPDE7A
SCHEMBL6132291 0.86 ALDH1A1 (0.41) ALDH1A1CSNK2A2CSNK2A1PDE4DPDE7A
SCHEMBL6132171 0.85 ALDH1A1 (0.46) ALDH1A1CHRM4PDE6DKMT2AMAPT
SCHEMBL6132398 0.84 HDAC3 (0.46) ALDH1A1USP2GLSNPC1RAB9A
SCHEMBL6132756 0.84 ALDH1A1 (0.45) ALDH1A1CHRM4PDE6DKMT2AMAPT
SCHEMBL6132576 0.84 HDAC3 (0.45) ALDH1A1USP2GLSNPC1RAB9A

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 ALDH1A1 4718/4885CHRM4 2900/4885CSNK2A2 1792/4885

“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.