SCHEMBL19931876

SCHEMBL19931876

CCOC(=O)C1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 4/20 0.57
▸ POLB P06746 2/20 0.48
▸ CXCR3 P49682 5/20 0.48
▸ BCL2 P10415 1/20 0.47
▸ BAD Q92934 1/20 0.47
▸ PREP P48147 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ACE P12821 1/20 0.43

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
SCHEMBL19932057 1.00 NR1D1 (0.57) NR1D1POLBCXCR3BCL2BAD
SCHEMBL19931770 0.91 NR1D1 (0.53) NR1D1POLBCXCR3BCL2BAD
SCHEMBL19931777 0.87 NR1D1 (0.63) NR1D1POLBBCL2BADPREP
SCHEMBL19931877 0.84 PREP (0.53) POLBCXCR3PREPTDP1L3MBTL1
SCHEMBL19927287 0.84 POLB (0.55) POLBCXCR3PREPTDP1L3MBTL1
SCHEMBL19927286 0.84 POLB (0.55) POLBCXCR3PREPTDP1L3MBTL1
SCHEMBL30377746 0.82 CXCR3 (0.54) CXCR3
SCHEMBL28556786 0.81 NR1D1 (0.68) NR1D1POLBBCL2BADACE
SCHEMBL29409301 0.81 NR1D1 (0.68) NR1D1POLBBCL2BADACE
SCHEMBL19931762 0.81 CXCR3 (0.46) POLBCXCR3PREPTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 — — EP disclosed
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
WO-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 — — 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-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 NR1D1 517/4885POLB 2573/4885CXCR3 1/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 NR1D1 517/4885POLB 2573/4885CXCR3 1/4885

“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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