SCHEMBL2120336

SCHEMBL2120336

[CH2]CC#CC(C)CCCC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
DNM1 Q05193 2/20 0.32
OPRM1 P35372 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
SCHEMBL2121226 0.86
SCHEMBL29678590 0.80 DNM1 (0.41) TSHRDNM1OPRM1
SCHEMBL29162368 0.78 DNM1 (0.30) DNM1
SCHEMBL8603359 0.78
SCHEMBL2120964 0.76
SCHEMBL2121066 0.75
SCHEMBL28182600 0.75 DNM1 (0.38) TSHRDNM1OPRM1
SCHEMBL2119303 0.73
SCHEMBL2119506 0.73 TSHR (0.39) TSHR
SCHEMBL5986913 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569504-B2 Imidazopyridine compound ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US 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 TSHR 4076/4885DNM1 4725/4885OPRM1 3428/4885

“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.