SCHEMBL5227031

SCHEMBL5227031

CCCCC1(CCCC)CN(c2ccc(N)cc2)c2ccc(O)cc2S(=O)(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 14/20 0.40
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
GRM2 Q14416 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL7090524 0.92 SLC10A2 (0.41) SLC10A2
SCHEMBL21586000 0.90 SLC10A2 (0.47) SLC10A2
SCHEMBL5222358 0.86 SLC10A2 (0.48) SLC10A2
SCHEMBL5228173 0.85 SLC10A2 (0.42) SLC10A2GRM2
SCHEMBL5226066 0.82 SLC10A2 (0.44) SLC10A2
SCHEMBL6843548 0.78 SLC10A2 (0.52) SLC10A2
SCHEMBL6307088 0.78 SLC10A2 (0.46) SLC10A2
SCHEMBL7092246 0.77 SLC10A2 (0.35) SLC10A2
SCHEMBL21586090 0.76 SLC10A2 (0.49) SLC10A2
SCHEMBL21585902 0.76 SLC10A2 (0.38) SLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345918-B1 1,5 BENZOTHIAZEPINES AND THEIR USE AS ANTIHYPERLIPIDEMICS ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
US-7192945-B2 Benzothiazepine derivatives ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-20040067933-A1 Chemical compounds ELOBIX AB (SE) 2004-04-08 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-20040067933-A1 Chemical compounds SLC10A2, SLC10A1, ABCB11 SLC10A2 1/4885OPRM1 3381/4885OPRD1 3677/4885

“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.