SCHEMBL1786719

SCHEMBL1786719

[CH2]C[N+]1(C(=O)OC(C)(C)C)CCCCC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.30
CTSK P43235 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
SCHEMBL7603453 0.83 EPHX1 (0.31) EPHX1CTSK
SCHEMBL1296518 0.83 HPGD (0.33) EPHX1CTSK
SCHEMBL6701925 0.81 EPHX1 (0.30) EPHX1CTSK
SCHEMBL2439447 0.81 CTSK (0.32) CTSK
SCHEMBL5797913 0.80 KDM4E (0.31)
SCHEMBL9178020 0.78 BBOX1 (0.32) CTSK
SCHEMBL7477261 0.77 CTSK (0.32) CTSK
SCHEMBL2064367 0.74 HPGD (0.33) EPHX1CTSK
SCHEMBL6608329 0.72 HPGD (0.32) EPHX1CTSK
SCHEMBL5568399 0.72 HPGD (0.32) EPHX1CTSK

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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 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 (4 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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R EPHX1 3811/4885CTSK 4167/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R EPHX1 2017/4885CTSK 3577/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R EPHX1 1954/4885CTSK 3247/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R EPHX1 3811/4885CTSK 4167/4885

“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.