SCHEMBL21567190

SCHEMBL21567190

C=C(N)CCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 13/20 0.47
▸ OPRD1 P41143 3/20 0.39
▸ CFTR P13569 1/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39

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
SCHEMBL21567105 1.00 CXCR3 (0.47) CXCR3OPRD1CFTRFNTAFNTB
SCHEMBL19931954 0.92 CXCR3 (0.49) CXCR3CFTRFNTAFNTB
SCHEMBL19927333 0.91 CXCR3 (0.50) CXCR3OPRD1
SCHEMBL19927332 0.91 CXCR3 (0.50) CXCR3OPRD1
SCHEMBL19931957 0.91 CXCR3 (0.50) CXCR3OPRD1
SCHEMBL19927335 0.91 CXCR3 (0.50) CXCR3OPRD1
SCHEMBL19931966 0.91 CXCR3 (0.47) CXCR3CFTRFNTAFNTB
SCHEMBL21567222 0.91 CXCR3 (0.49) CXCR3OPRD1
SCHEMBL19931664 0.91 CXCR3 (0.48) CXCR3CFTRFNTAFNTB
SCHEMBL19931898 0.90 CXCR3 (0.51) CXCR3FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 — — US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 — — 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 (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-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 CXCR3 1/4885OPRD1 180/4885CFTR 102/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 CXCR3 1/4885OPRD1 180/4885CFTR 102/4885

“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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