SCHEMBL25320726

SCHEMBL25320726

CC(C)(C)OC(=O)NCCCc1ccc(N2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.52
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ DRD2 P14416 8/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ CNR1 P21554 2/20 0.46
▸ BRD4 O60885 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL3836217 0.92 NAMPT (0.54) SIGMAR1CA1CA2DRD2NAMPT
SCHEMBL20946394 0.84 KMT2A (0.55) CA1CA2NAMPTTDP1MEN1
SCHEMBL21396291 0.83 SMN1; SMN2 (0.54) NAMPTMEN1CYP2C19KMT2ASMN1; SMN2
SCHEMBL23291239 0.82 NAMPT (0.55) SIGMAR1CA1CA2DRD2NAMPT
SCHEMBL3706363 0.82 NAMPT (0.52) SIGMAR1CA1CA2NAMPTBRD4
SCHEMBL22957300 0.81 NAMPT (0.51) CA1CA2NAMPT
SCHEMBL21457821 0.81 NAMPT (0.53) SIGMAR1CA1CA2DRD2NAMPT
SCHEMBL22996211 0.80 CA1 (0.54) SIGMAR1CA1CA2NAMPTTDP1
SCHEMBL22996206 0.80 CA1 (0.54) SIGMAR1CA1CA2NAMPTTDP1
SCHEMBL7465537 0.80 ESRRG (0.58) SIGMAR1CA1CA2NAMPTTDP1

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
US-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. 2024-02-08 — — US disclosed
EP-4217342-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2023-08-02 — — EP disclosed
CN-116507607-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2023-07-28 — — CN disclosed
WO-2022067114-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-03-31 — — 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 (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-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 SIGMAR1 761/4885CA1 4408/4885CA2 4271/4885

“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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