SCHEMBL4084559

SCHEMBL4084559

CC1CC(C2CCOCC2)Cc2c1[nH]c1ccccc21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 20/20 0.50
KCNH2 Q12809 14/20 0.50
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46

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
SCHEMBL29486335 0.75 NR2E1 (0.51)
SCHEMBL14584257 0.70 BRD3 (0.57)
SCHEMBL4091350 0.70 BRD3 (0.57) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL11084665 0.70 HTR2A (0.39) SSTR3
SCHEMBL21309538 0.70 CYP2D6 (0.47) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL11090267 0.69 HTR7 (0.38) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL3805259 0.69 HTR2A (0.68) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL7088610 0.68 BRD3 (0.67)
SCHEMBL11081951 0.67 ESR1 (0.40) SSTR3KCNH2
SCHEMBL11084255 0.67 SSTR3 (0.37) SSTR3KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 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-20090062251-A1 Novel Compounds 002 OPRL1, OPRK1, OPRM1 SSTR3 845/4885KCNH2 445/4885CACNA1F 488/4885

“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.