SCHEMBL21198784

SCHEMBL21198784

CC(C)(C)OC(=O)N1CCCC2(CCCN(C(=O)CCCN3CC[C@@H](OCc4ccccc4)C3)C2)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.50
▸ CD274 Q9NZQ7 1/20 0.50
▸ CYP3A4 P08684 5/20 0.42
▸ CYP2D6 P10635 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ BCHE P06276 5/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CCR5 P51681 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ KLK7 P49862 1/20 0.39
▸ PRMT5 O14744 3/20 0.38
▸ WDR77 Q9BQA1 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ SCD5 Q86SK9 1/20 0.38

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
SCHEMBL21198785 1.00 PDCD1 (0.50) PDCD1CD274CYP3A4CYP2D6TSHR
SCHEMBL21198792 0.91 PDCD1 (0.59) PDCD1CD274CYP3A4CYP2D6TSHR
SCHEMBL21198778 0.83 PDCD1 (0.49) PDCD1CD274CYP3A4CYP2D6TSHR
SCHEMBL21198779 0.83 PDCD1 (0.49) PDCD1CD274CYP3A4CYP2D6TSHR
SCHEMBL21206406 0.77 PDCD1 (0.54) PDCD1CD274CYP3A4CYP2D6TSHR
SCHEMBL14662696 0.76 OPRM1 (0.46) KLK7PRMT5SCD5
SCHEMBL12607067 0.75 PRMT5 (0.56) KLK7PRMT5WDR77
SCHEMBL12607070 0.75 PRMT5 (0.56) KLK7PRMT5WDR77
SCHEMBL29117319 0.75 PRMT5 (0.56) KLK7PRMT5WDR77
SCHEMBL20503925 0.75 JAK2 (0.55) BCHEKLK7PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743425-B1 2,8-DIACYL-2,8-DIAZASPIRO[5.5]UNDECANE COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2024-11-27 — — EP disclosed
US-11414418-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-16 — — US disclosed
US-20210053972-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2021-02-25 — — US disclosed
US-20210053972-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2021-02-25 — — US disclosed
EP-3743425-A1 2,8-DIACYL-2,8-DIAZASPIRO[5.5]UNDECANE COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2020-12-02 — — EP disclosed
WO-2019147662-A1 2,8-DIACYL-2,8-DIAZASPIRO[5.5]UNDECANE COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 — — WO disclosed
WO-2019147662-A1 2,8-DIACYL-2,8-DIAZASPIRO[5.5]UNDECANE COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 — — 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-20210053972-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 PDCD1 161/4885CD274 52/4885CYP3A4 3478/4885
US-11414418-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 PDCD1 161/4885CD274 52/4885CYP3A4 3478/4885

“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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