SCHEMBL25877902

SCHEMBL25877902

CC(C)(CC(N)=O)OCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCNCO

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ GRIA1 P42261 4/20 0.43
▸ CHRNA1 P02708 2/20 0.40
▸ CHRNG P07510 2/20 0.40
▸ CHRNB1 P11230 2/20 0.40
▸ CHRND Q07001 2/20 0.40
▸ CD40 P25942 1/20 0.40

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
SCHEMBL25877836 0.88 QRFPR (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25877088 0.86 AKT1 (0.47) —
SCHEMBL25976319 0.84 OPRM1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25976646 0.84 OPRM1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25877985 0.84 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL25757530 0.84 CTSB (0.37) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25873942 0.83 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL25757406 0.79 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL25874061 0.79 EPHX2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL25496961 0.79 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1

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-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-07-06 — — 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-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF RCC2, REN, VHL CHRNB2 4676/4885CHRNB4 4429/4885CHRNA3 4300/4885

“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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