SCHEMBL2494024

SCHEMBL2494024

CCCC(CCC)C(=O)CC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
HDAC2 Q92769 2/20 0.50
CHRM1 P11229 1/20 0.50
AKR1A1 P14550 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TSHR P16473 3/20 0.48
CYP3A4 P08684 2/20 0.48
NFKB1 P19838 2/20 0.48

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
SCHEMBL29017259 0.89 HDAC7 (0.45) HDAC1TDP1HDAC7HDAC8HDAC6
SCHEMBL23631407 0.87 HDAC1 (0.57) HDAC1TDP1HDAC7HDAC8HDAC6
SCHEMBL29084203 0.80 HDAC1 (0.56) HDAC1TDP1HDAC7HDAC8HDAC6
SCHEMBL1935489 0.79 TSHR (0.44) TDP1TSHRNPSR1SLC1A3SLC1A2
SCHEMBL12611363 0.78 HDAC7 (0.48) HDAC1TDP1HDAC7HDAC8HDAC6
SCHEMBL3964956 0.78 CA2 (0.57) TSHRSLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL29097566 0.76 HDAC7 (0.46) HDAC1TDP1HDAC7HDAC8HDAC6
SCHEMBL14543666 0.76 TDP1 (0.57) HDAC1TDP1HDAC7HDAC8HDAC6
SCHEMBL19679638 0.75 HDAC7 (0.50) HDAC1TDP1HDAC7HDAC8HDAC6
SCHEMBL21542254 0.74 CA2 (0.48) GRIK1GRIK2CA2CA1MAPK1

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-8030304-B2 Thiazole pyrazolopyrimidines CRF1 receptor antagonists ELI LILLY AND COMPANY (US) 2011-10-04 US disclosed
EP-2094709-B1 THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-09-15 EP disclosed
US-20100222339-A1 Thiazole pyrazolopyrimidines CRF1 receptor antagonists ELI LILLY AND COMPANY 2010-09-02 US disclosed
EP-2094709-A1 THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-09-02 EP disclosed
WO-2008036579-A1 THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-03-27 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-20100222339-A1 Thiazole pyrazolopyrimidines CRF1 receptor antagonists CRHR1, CRH, CRHR2 HDAC1 833/4885TDP1 2844/4885HDAC7 1706/4885

“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.