SCHEMBL6132510

SCHEMBL6132510

COC1(C2CCCCC2)CCN(c2ccc(-c3nnc(-c4ccc(C(=O)O)cc4)s3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.44
PDE7A Q13946 2/20 0.44
USP2 O75604 2/20 0.42
CSNK2A2 P19784 8/20 0.42
CSNK2A1 P68400 8/20 0.42
HRH3 Q9Y5N1 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
CSNK2B P67870 1/20 0.39
PPARA Q07869 1/20 0.39
CHEK1 O14757 2/20 0.38
IP6K1 Q92551 1/20 0.37
IP6K3 Q96PC2 1/20 0.37
IP6K2 Q9UHH9 1/20 0.37
SSTR5 P35346 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
SCHEMBL6374773 0.99 USP2 (0.43) PDE4DPDE7AUSP2CSNK2A2CSNK2A1
SCHEMBL6132560 0.91 PDE4D (0.48) PDE4DPDE7AUSP2HRH3
SCHEMBL6376063 0.90 PDE4D (0.46) PDE4DPDE7AUSP2CSNK2A2CSNK2A1
SCHEMBL13099171 0.88 USP2 (0.52) PDE4DUSP2CHEK1IP6K1IP6K3
SCHEMBL6134823 0.88 HRH3 (0.38) PDE4DPDE7AUSP2HRH3
SCHEMBL6132812 0.86 HRH3 (0.38) PDE4DPDE7AUSP2HRH3
SCHEMBL6132815 0.85 ALDH1A1 (0.41) USP2HRH3
SCHEMBL13098814 0.84 HRH3 (0.39) USP2HRH3
SCHEMBL6134549 0.83 KDM4E (0.43) HRH3
SCHEMBL13098918 0.83 MAPT (0.35) PDE4DPDE7AUSP2CSNK2A2CSNK2A1

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 3 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

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 PDE4D 1912/4885PDE7A 670/4885USP2 4462/4885

“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.