SCHEMBL6132282

SCHEMBL6132282

COC(=O)c1ccc(-c2nnc(-c3ccc(N4CCN(CC5CCCCC5)CC4)cc3)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.46
PDE7A Q13946 1/20 0.46
USP2 O75604 3/20 0.45
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.42
CHKA P35790 1/20 0.41
CHRM4 P08173 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6241221 0.99 USP2 (0.46) PDE4DPDE7AUSP2TSHRALDH1A1
SCHEMBL6132526 0.88 CSNK2A2 (0.45) PDE4DPDE7AUSP2TSHRALDH1A1
SCHEMBL6235038 0.86 CSNK2A2 (0.46) PDE4DPDE7AUSP2TSHRALDH1A1
SCHEMBL6134442 0.85 HRH3 (0.55) PDE4DPDE7AUSP2ALDH1A1MAPT
SCHEMBL6135390 0.84 PDE4D (0.45) PDE4DPDE7AUSP2ALDH1A1MAPT
SCHEMBL7339724 0.84 ALDH1A1 (0.52) PDE4DPDE7AUSP2TSHRALDH1A1
SCHEMBL6135132 0.83 HRH3 (0.56) PDE4DPDE7AUSP2ALDH1A1MAPT
SCHEMBL6132264 0.83 HDAC3 (0.56) TSHRALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6234622 0.82 HDAC3 (0.57) TSHRALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6132174 0.81 HDAC3 (0.44) USP2TSHRALDH1A1SMN1; SMN2HDAC3

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 6 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
CN-1425026-A Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2003-06-18 CN 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 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.