SCHEMBL231220

SCHEMBL231220

CC(C)(C)C#C[C@@H]1CCCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.42
CHRM4 P08173 4/20 0.42
CHRM5 P08912 4/20 0.42
CHRM1 P11229 4/20 0.42
CHRM3 P20309 4/20 0.42
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41

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
SCHEMBL10223569 0.83 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13740334 0.77 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9022380 0.72 CHRM2 (0.71) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL858699 0.72 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL26094394 0.72 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL10223539 0.72
SCHEMBL3526616 0.72 DPP4 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6234921 0.72 DPP4 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3601162 0.72 DPP4 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5314581 0.72 DPP4 (0.59) DPP4DPP8DPP9

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
EP-2400846-A1 HEPATITIS C VIRUS INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 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-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK CHRM2 4208/4885CHRM4 4443/4885CHRM5 4338/4885

“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.