SCHEMBL21783898

SCHEMBL21783898

CCCCCCC(C)(CCC)c1cnc(C)nc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.36
CNR1 P21554 12/20 0.34
ESR1 P03372 3/20 0.32
ESR2 Q92731 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
SCHEMBL19251539 0.96 CNR2 (0.38) CNR2CNR1ESR1
SCHEMBL22752261 0.96 CNR2 (0.38) CNR2CNR1ESR1
SCHEMBL19251047 0.96 CNR2 (0.38) CNR2CNR1ESR1
SCHEMBL19252460 0.95 CNR2 (0.37) CNR2CNR1ESR1ESR2
SCHEMBL22674620 0.95 CNR2 (0.37) CNR2CNR1ESR1ESR2
SCHEMBL19251075 0.93 ESR1 (0.33) ESR1ESR2
SCHEMBL19251179 0.90 CNR2 (0.36) CNR2CNR1
SCHEMBL22752349 0.90 CNR2 (0.36) CNR2CNR1
SCHEMBL21134743 0.89 ESR1 (0.34) CNR2ESR1ESR2
SCHEMBL22752613 0.89 ESR1 (0.35) ESR1ESR2

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-11253525-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 US disclosed
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB CO (US) 2020-03-05 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-11253525-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT CNR2 594/4885CNR1 1234/4885ESR1 3652/4885
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT CNR2 594/4885CNR1 1234/4885ESR1 3652/4885

“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.