SCHEMBL14309151

SCHEMBL14309151

CC#CCOC(=O)N(C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.35
MMP1 P03956 8/20 0.35
MMP9 P14780 8/20 0.35
MMP13 P45452 7/20 0.35
MMP2 P08253 2/20 0.34
MMP12 P39900 1/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
MMP7 P09237 1/20 0.31
MMP8 P22894 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
SCHEMBL12988412 0.82 MMP1 (0.35) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL13034571 0.79 CHRNB2 (0.45) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL15343543 0.74 MMP1 (0.35) MMP1MMP9MMP2MMP12CHRNB2
SCHEMBL4676804 0.73 MMP1 (0.39) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL9357927 0.73 ALDH1A1 (0.42) CHRNB2CHRNA4
SCHEMBL19105198 0.73 MMP1 (0.39) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL4677086 0.71 MMP1 (0.38) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL4677082 0.71 MMP1 (0.38) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL12987849 0.71 CHRNB2 (0.35) CHRNB2CHRNA4
SCHEMBL18924869 0.71 TSHR (0.43) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 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-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 ADAM17 3930/4885MMP1 4332/4885MMP9 3681/4885

“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.