SCHEMBL21783853

SCHEMBL21783853

CCCCCCC(C)(CCC)c1cnc(OC)cn1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ACAT1 P24752 1/20 0.31
▸ SOAT1 P35610 1/20 0.31
▸ CNR1 P21554 2/20 0.31

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
SCHEMBL20793005 0.97 CNR2 (0.33) CNR2MEN1PABPC1KMT2ASIRT6
SCHEMBL24656031 0.97 CNR2 (0.33) CNR2MEN1PABPC1KMT2ASIRT6
SCHEMBL24656620 0.97 CNR2 (0.33) CNR2MEN1PABPC1KMT2ASIRT6
SCHEMBL21133964 0.95 CNR2 (0.33) CNR2MEN1PABPC1KMT2ASIRT6
SCHEMBL18516775 0.91 CNR2 (0.34) CNR2MEN1PABPC1KMT2ASIRT6
SCHEMBL18522956 0.85 CNR2 (0.39) CNR2MEN1PABPC1KMT2ASIRT6
SCHEMBL19660284 0.84 SIRT6 (0.34) SIRT6
SCHEMBL23502540 0.84 CNR2 (0.34) CNR2KDM4ETSHRCNR1
SCHEMBL23502537 0.84 CNR2 (0.34) CNR2KDM4ETSHRCNR1
SCHEMBL18415105 0.80 CNR2 (0.32) CNR2KDM4EMAPTCNR1

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 594/4885MEN1 2860/4885PABPC1 3164/4885
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT CNR2 594/4885MEN1 2860/4885PABPC1 3164/4885

“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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