SCHEMBL20124770

SCHEMBL20124770

CC(C)(O)C1CCCC(N)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 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
SCHEMBL17723501 1.00 TRPA1 (0.34) TRPA1LMNAPDK1PDK2PDK3
SCHEMBL19604528 1.00 TRPA1 (0.34) TRPA1LMNAPDK1PDK2PDK3
Hydrochloric Acid SCHEMBL19583115 0.98 TRPA1 (0.33) TRPA1LMNAPDK1PDK2PDK3
SCHEMBL2985427 0.86 LMNA (0.33) TRPA1LMNA
SCHEMBL13674233 0.86 LMNA (0.33) TRPA1LMNA
SCHEMBL1543556 0.86 LMNA (0.33) TRPA1LMNA
SCHEMBL14639220 0.86 LMNA (0.33) TRPA1LMNA
SCHEMBL14639219 0.86 LMNA (0.33) TRPA1LMNA
SCHEMBL1543559 0.86 LMNA (0.33) TRPA1LMNA
SCHEMBL12825387 0.86 LMNA (0.33) TRPA1LMNA

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-20190183866-A1 5-SUBSTITUTED BENZIMIDAZOLE AND 5-SUBSTITUTED AZABENZIMIDAZOLE DERIVATIVE BOTH HAVING AMPK ACTIVATION EFFECT SHIONOGI & CO., LTD. (JP) 2019-06-20 US disclosed
EP-3180338-B1 AZABENZIMIDAZOLE DERIVATIVES AS AMP PROTEIN KINASE AGONISTES BOEHRINGER INGELHEIM INT (DE) 2018-05-09 EP 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-20190183866-A1 5-SUBSTITUTED BENZIMIDAZOLE AND 5-SUBSTITUTED AZABENZIMIDAZOLE DERIVATIVE BOTH HAVING AMPK ACTIVATION EFFECT PRKAG2, PRKAB2, PRKAG1 TRPA1 4310/4885LMNA 4279/4885PDK1 66/4885

“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.