SCHEMBL6132377

SCHEMBL6132377

COCCCCCCCOC1CCC(N2CCN(c3ccc(-c4nnc(-c5ccc(C(=O)OC)cc5)s4)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 6/20 0.40
HRH3 Q9Y5N1 6/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
USP2 O75604 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35

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
SCHEMBL6132483 0.92 CSNK2A2 (0.42) WNT3AHRH3KMT2AMEN1USP2
SCHEMBL6132358 0.92 CSNK2A2 (0.42) WNT3AHRH3KMT2AMEN1USP2
SCHEMBL6132272 0.91 ALDH1A1 (0.41) HRH3KMT2AMEN1ALDH1A1USP2
SCHEMBL6934067 0.91 ALDH1A1 (0.41) HRH3KMT2AMEN1ALDH1A1USP2
SCHEMBL6132291 0.91 ALDH1A1 (0.41) HRH3KMT2AMEN1ALDH1A1USP2
SCHEMBL6134811 0.90 ALDH1A1 (0.38) HRH3KMT2AMEN1ALDH1A1USP2
SCHEMBL6134373 0.88 DGAT1 (0.41) WNT3AHRH3KMT2AMEN1ALDH1A1
SCHEMBL6134955 0.87 HRH3 (0.41) WNT3AHRH3
SCHEMBL6132214 0.86 MEN1 (0.43) KMT2AMEN1ALDH1A1DRD2DRD4
SCHEMBL6132297 0.86 HDAC3 (0.42) WNT3AHRH3USP2NPC1RAB9A

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 WNT3A 4365/4885HRH3 2597/4885KMT2A 4695/4885

“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.