SCHEMBL25878481

SCHEMBL25878481

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRND Q07001 8/20 0.46
▸ CHRNA1 P02708 4/20 0.46
▸ CHRNG P07510 4/20 0.46
▸ CHRNB1 P11230 4/20 0.46
▸ MMP2 P08253 1/20 0.45
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ CD40 P25942 1/20 0.43
▸ GRIA1 P42261 1/20 0.43
▸ OPRD1 P41143 3/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ OPRK1 P41145 2/20 0.42

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
SCHEMBL26572207 1.00 CHRND (0.46) CHRNDCHRNA1CHRNGCHRNB1MMP2
SCHEMBL25758188 0.90 CHRNB2 (0.43) CHRNDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25757406 0.90 CHRNB2 (0.43) CHRNDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25878875 0.88 OPRD1 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4OPRD1
SCHEMBL25877071 0.88 AKT1 (0.44) OPRD1OPRM1OPRK1
SCHEMBL25877236 0.88 AKT1 (0.44) OPRD1OPRM1OPRK1
SCHEMBL25877257 0.88 AKT1 (0.44) OPRD1OPRM1OPRK1
SCHEMBL25877675 0.87 OPRD1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4OPRD1
SCHEMBL26572532 0.84 CHRND (0.47) CHRNDCHRNA1CHRNGCHRNB1MMP2
SCHEMBL25874361 0.83 MMP2 (0.56) CHRNDCHRNA1CHRNGCHRNB1MMP2

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-20230331738-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-10-19 — — US disclosed
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 (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-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF RCC2, REN, VHL CHRND 4142/4885CHRNA1 4443/4885CHRNG 4842/4885
US-20230331738-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF RCC2, REN, VHL CHRND 4142/4885CHRNA1 4443/4885CHRNG 4842/4885

“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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