SCHEMBL1747682

SCHEMBL1747682

[CH2]C1CCN(C(=O)OC2CCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 18/20 0.49
TPSD1 Q9BZJ3 18/20 0.49
TPSG1 Q9NRR2 18/20 0.49
PRSS1 P07477 5/20 0.44
F2 P00734 3/20 0.44
PLG P00747 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40

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
SCHEMBL1747845 0.96 TPSAB1 (0.46) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL8275268 0.84 TPSAB1 (0.51) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL12153397 0.81 TPSAB1 (0.49) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL16468337 0.79 TPSAB1 (0.47) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL16467967 0.79 HSD11B1 (0.48) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL18855837 0.78 TPSAB1 (0.47) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL12991729 0.78 HSD11B1 (0.52) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL13016393 0.78 HSD11B1 (0.52) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL12791455 0.78 HSD11B1 (0.47) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL1747773 0.78 GPR119 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817036-B1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2012-07-04 EP claimed
US-20060270653-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-30 US claimed
EP-1817036-B1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2012-07-04 EP disclosed
US-7863449-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-04 US disclosed
US-20060270653-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-30 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-20060270653-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 TPSAB1 1048/4885TPSD1 1695/4885TPSG1 717/4885

“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.