SCHEMBL9920118

SCHEMBL9920118

Cc1ccc(NC(=O)CCOCCOCCNC(=O)CCN2C(=O)CC(SCCC(=O)CN)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.45
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA4 P22748 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ DRD2 P14416 1/20 0.37
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HDAC3 O15379 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
SCHEMBL9920121 0.89 OPRK1 (0.50) OPRK1MEN1KMT2AMAPTALDH1A1
SCHEMBL13892281 0.81 OPRK1 (0.50) OPRK1MEN1KMT2AMAPTALDH1A1
SCHEMBL9920128 0.79 OPRK1 (0.52) OPRK1MEN1KMT2AMAPTALDH1A1
SCHEMBL9920132 0.78 OPRK1 (0.50) OPRK1MEN1KMT2AMAPTALDH1A1
SCHEMBL9920120 0.78 OPRK1 (0.48) OPRK1MEN1KMT2AALDH1A1CA12
SCHEMBL13892280 0.78 OPRK1 (0.60) OPRK1MEN1KMT2AMAPTALDH1A1
SCHEMBL13892137 0.78 OPRK1 (0.51) OPRK1MEN1KMT2AMAPTALDH1A1
SCHEMBL14147941 0.77 OPRK1 (0.47) OPRK1MEN1KMT2AMAPTALDH1A1
SCHEMBL15759421 0.77 DRD2 (0.39) OPRK1MEN1KMT2AALDH1A1DRD2
SCHEMBL14819092 0.77 SMN1; SMN2 (0.43) OPRK1MEN1KMT2AALDH1A1NPC1

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-20120148586-A1 GLUCAGON-LIKE PROTEIN-1 RECEPTOR (GLP-1R) AGONISTS FOR TREATING AUTOIMMUNE DISORDERS CHOU JOYCE CHING TSU (US) 2012-06-14 — — 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-20120148586-A1 GLUCAGON-LIKE PROTEIN-1 RECEPTOR (GLP-1R) AGONISTS FOR TREATING AUTOIMMUNE DISORDERS GLP1R, GCGR, GIPR OPRK1 3484/4885MEN1 688/4885KMT2A 3150/4885

“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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