SCHEMBL2069170

SCHEMBL2069170

CCCC(CCC)n1nc(C)c(=O)c2c(-c3c(C)cc(C)cc3C)cccc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.34
TSHR P16473 1/20 0.34
CMA1 P23946 1/20 0.32
MAPK13 O15264 1/20 0.30
EIF2AK2 P19525 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30

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
SCHEMBL12775420 0.90 CMA1 (0.35) CRHR1TSHRCMA1
SCHEMBL2069851 0.87 CRHR1 (0.34) CRHR1TSHRCMA1
SCHEMBL2069870 0.80 CRHR1 (0.33) CRHR1TSHR
SCHEMBL2071228 0.78 CMA1 (0.34) CRHR1CMA1
SCHEMBL2069530 0.78 CRHR1 (0.37) CRHR1TSHRMAPK13EIF2AK2MAPK12
SCHEMBL2072203 0.77 CRHR1 (0.34) CRHR1CMA1
SCHEMBL2070228 0.73 C5AR1 (0.44)
SCHEMBL2070620 0.72 ALDH1A1 (0.32) CRHR1
SCHEMBL2070698 0.69 KDM4E (0.40) CRHR1
SCHEMBL2069822 0.68 MEN1 (0.35) CRHR1CMA1

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 claimed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US claimed
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
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
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R CRHR1 1/4885TSHR 311/4885CMA1 1157/4885

“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.