SCHEMBL13897048

SCHEMBL13897048

CN(C)CCOC(=O)[C@@H]1C2C=CC(O2)[C@@H]1C(=O)OCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ PPM1B O75688 2/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ DNM1 Q05193 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL13897096 1.00 CHRM1 (0.44) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL9058122 1.00 CHRM1 (0.44) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL9057991 0.94 PPM1B (0.49) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL15985614 0.80 PPM1B (0.51) PPM1BNPSR1ALDH1A1PTPN1PPP1CC
SCHEMBL13897030 0.79 TSHR (0.38) PPM1BALDH1A1PTPN1PPP1CC
SCHEMBL15981931 0.76 PPARG (0.49) PPM1BCA12CA1CA2CA9
SCHEMBL25397026 0.76 PPM1B (0.59) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL13906553 0.76 PPM1B (0.59) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL2140593 0.76 ALDH1A1 (0.46) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL1627201 0.76 PPM1B (0.49) PPM1BSMN1; SMN2ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072650-A1 Water-Soluble and Water-Insoluble, Ring Opening Metathesis Polymerization Products, Monomers and Related Methods UNIVERSITY OF MASSACHUETTS (US) 2013-03-21 — — US disclosed
US-20130072650-A1 Water-Soluble and Water-Insoluble, Ring Opening Metathesis Polymerization Products, Monomers and Related Methods UNIVERSITY OF MASSACHUETTS (US) 2013-03-21 — — US disclosed
US-8329927-B2 Water-soluble and water-insoluble, ring opening metathesis polymerization products, monomers and related methods UNIVERSITY OF MASSACHUSETTS (US) 2012-12-11 — — US disclosed
US-8329927-B2 Water-soluble and water-insoluble, ring opening metathesis polymerization products, monomers and related methods UNIVERSITY OF MASSACHUSETTS (US) 2012-12-11 — — US disclosed
WO-2009039407-A1 WATER-SOLUBLE AND WATER-INSOLUBLE, RING OPENING METATHESIS POLYMERIZATION PRODUCTS, MONOMERS AND RELATED METHODS UNIVERSITY OF MASSACHUSETTS (US) 2009-03-26 — — WO disclosed
US-20090082524-A1 Water-Soluble and Water-Insoluble, Ring Opening Metathesis Polymerization Products, Monomers and Related Methods UNIVERSITY OF MASSACHUSETTS (US) 2009-03-26 — — US disclosed
US-20090082524-A1 Water-Soluble and Water-Insoluble, Ring Opening Metathesis Polymerization Products, Monomers and Related Methods UNIVERSITY OF MASSACHUSETTS (US) 2009-03-26 — — 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-20090082524-A1 Water-Soluble and Water-Insoluble, Ring Opening Metathesis Polymerization Products, Monomers and Related Methods CD14, MAGI3, NOD2 CHRM1 3720/4885CHRM2 4580/4885CHRM4 4286/4885

“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.

Send feedback