SCHEMBL19658183

SCHEMBL19658183

O=C(ON1C(=O)CCC1=O)[C@H]1CCC[C@H](C(=O)ON2C(=O)CCC2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.36
▸ CHRM4 P08173 3/20 0.36
▸ CHRM1 P11229 3/20 0.36
▸ CHRM3 P20309 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MGLL Q99685 4/20 0.33
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ CHRNB3 Q05901 1/20 0.31
▸ CHRNA6 Q15825 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
SCHEMBL18751701 1.00 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3HTT
SCHEMBL19658172 1.00 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3HTT
SCHEMBL18751694 0.92 MGLL (0.31) MGLL
SCHEMBL19658174 0.92 MGLL (0.31) MGLL
SCHEMBL5339321 0.92 SMN1; SMN2 (0.42) CHRM2CHRM4CHRM1CHRM3HTT
SCHEMBL9237508 0.89 SMN1; SMN2 (0.38) CHRM2CHRM4CHRM1CHRM3HTT
SCHEMBL17776323 0.88 MGLL (0.33) MGLL
SCHEMBL31036808 0.88 MGLL (0.33) MGLL
SCHEMBL23424118 0.87 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3HTT
SCHEMBL19880058 0.87 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689430-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2020-06-23 — — US disclosed
US-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-06-13 — — US disclosed
WO-2017205309-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 — — WO 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 (2 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-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CHRM2 954/4885CHRM4 930/4885CHRM1 830/4885
US-10689430-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 CHRM2 954/4885CHRM4 930/4885CHRM1 830/4885

“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.

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