SCHEMBL2118765

SCHEMBL2118765

[CH2]C#CC(C)CCCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
CA1 P00915 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
DNM1 Q05193 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
FDPS P14324 1/20 0.32

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
SCHEMBL2120964 0.93
SCHEMBL148383 0.82
SCHEMBL16782308 0.82 OPRM1 (0.48) OPRM1SPHK1LMNAADH1BADH1C
SCHEMBL29647839 0.82 OPRM1 (0.48) OPRM1SPHK1LMNAADH1BADH1C
SCHEMBL5985598 0.79
SCHEMBL30117301 0.78 OPRM1 (0.44) OPRM1CA1SPHK1LMNATP53
SCHEMBL29678590 0.76 DNM1 (0.41) OPRM1CA1LMNADNM1FDPS
SCHEMBL3017216 0.76 SPHK1 (0.45) OPRM1SPHK1LMNATP53ADH1B
SCHEMBL8705831 0.75
SCHEMBL21888243 0.74 OPRM1 (0.41) OPRM1CA1SPHK1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444401-B1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO (JP) 2014-09-03 EP disclosed
US-8569504-B2 Imidazopyridine compound ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
EP-2444401-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2012-04-25 EP disclosed
US-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-19 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-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND CMA1, ACE, ALPI OPRM1 3428/4885CA1 1858/4885SPHK1 1857/4885

“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.