SCHEMBL17176229

SCHEMBL17176229

CC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)C(C)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.59
▸ OPRD1 P41143 2/20 0.59
▸ OPRK1 P41145 1/20 0.59
▸ NPY4R P50391 13/20 0.53
▸ NPY5R Q15761 8/20 0.53
▸ NPY1R P25929 8/20 0.53
▸ NPY2R P49146 5/20 0.53
▸ IL23R Q5VWK5 1/20 0.52
▸ TFPI P10646 1/20 0.51
▸ QRFPR Q96P65 1/20 0.51
▸ OPRL1 P41146 1/20 0.50

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
SCHEMBL17176397 0.90 IL23R (0.55) OPRM1OPRD1OPRK1NPY4RNPY5R
SCHEMBL18331058 0.88 OPRD1 (0.57) OPRM1OPRD1OPRK1QRFPR
SCHEMBL19953938 0.87 TFPI (0.58) OPRM1OPRD1OPRK1IL23RTFPI
SCHEMBL30413829 0.86 TFPI (0.60) OPRM1OPRD1OPRK1IL23RTFPI
SCHEMBL31257060 0.86 NPY4R (0.58) OPRM1OPRD1OPRK1NPY4RNPY5R
SCHEMBL30414545 0.86 TFPI (0.60) OPRM1OPRD1OPRK1IL23RTFPI
SCHEMBL30958545 0.85 NPY4R (0.59) OPRM1OPRD1OPRK1NPY4RNPY5R
SCHEMBL29799960 0.85 NPY4R (0.59) NPY4RNPY5RNPY1RNPY2R
SCHEMBL31504570 0.84 TFPI (0.67) OPRM1OPRD1OPRK1IL23RTFPI
SCHEMBL29805232 0.84 QRFPR (0.60) OPRM1OPRD1OPRK1NPY4RNPY5R

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-20150290341-A1 TARGETED IDURONATE-2-SULFATASE COMPOUNDS Anglachem Inc. (CA) 2015-10-15 — — 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-20150290341-A1 TARGETED IDURONATE-2-SULFATASE COMPOUNDS IDUA, GAA, MAN2B1 OPRM1 4520/4885OPRD1 4575/4885OPRK1 4753/4885

“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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