SCHEMBL23084662

SCHEMBL23084662

CN(C(=O)OCC(C)(C)C)c1ncccc1COP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ CASP3 P42574 2/20 0.32
▸ SENP8 Q96LD8 2/20 0.32
▸ SENP7 Q9BQF6 2/20 0.32
▸ SENP6 Q9GZR1 2/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ P2RX1 P51575 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PNPO Q9NVS9 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL25943764 0.86 CASP3 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22624265 0.85 GAA (0.34) CHRM1CASP3SENP8SENP7SENP6
SCHEMBL29753770 0.84 ADORA3 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23692294 0.83 TACR1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25834986 0.82 ESR1 (0.36) CASP3SENP8SENP7SENP6ESR1
SCHEMBL25836189 0.81 ESR1 (0.35) CASP3SENP8SENP7SENP6ESR1
SCHEMBL23084629 0.80 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25833602 0.80 ESR1 (0.34) CASP3SENP8SENP7SENP6ESR1
SCHEMBL26158321 0.79 ESR1 (0.39) CASP3SENP8SENP7SENP6ESR1
SCHEMBL30270924 0.77 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3

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-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-03-11 — — 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-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT CHRM2 1793/4885CHRM4 3623/4885CHRM5 2119/4885

“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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