SCHEMBL2070525

SCHEMBL2070525

CCC(CC)COc1cccc2c1c(=O)n(C)c(=O)n2CC(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 5/20 0.39
PDE1B Q01064 5/20 0.39
PDE1C Q14123 5/20 0.39
PDE2A O00408 5/20 0.39
AGER Q15109 1/20 0.37
GAA P10253 2/20 0.36
PDE5A O76074 2/20 0.36
LMNA P02545 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
RECQL P46063 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC16A1 P53985 1/20 0.34

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
SCHEMBL2071304 0.80 DRD2 (0.37) PDE1APDE1BPDE1CPDE2A
SCHEMBL2070646 0.72 CRHR1 (0.38) PDE1APDE1BPDE1CPDE2ALMNA
SCHEMBL28458357 0.62 NFKB1 (0.37) LMNAKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL17197561 0.61 BACE1 (0.59) AGERLMNAKDM4EMEN1KMT2A
SCHEMBL6299338 0.60 TSHR (0.55) PDE1APDE1BPDE1CPDE2AAGER
SCHEMBL24012189 0.59 KMT2A (0.39) GAALMNAKDM4EMEN1KMT2A
SCHEMBL10285685 0.59 KDM4E (0.58) LMNAKDM4EMEN1KMT2AMAPT
SCHEMBL9535754 0.59 PDE1A (0.56) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL6366020 0.59 PGR (0.64) AGERLMNAKDM4EKMT2ARECQL
SCHEMBL79322 0.58 GAA (0.53) GAALMNAKDM4EMAPTTSHR

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
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R PDE1A 908/4885PDE1B 1111/4885PDE1C 1494/4885

“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.