SCHEMBL13626650

SCHEMBL13626650

CCNC(=O)[C@H](CCc1ccccc1)NC(=O)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.54
▸ CHRNB4 P30926 1/20 0.54
▸ CHRNA3 P32297 1/20 0.54
▸ CHRNA4 P43681 1/20 0.54
▸ CTSS P25774 2/20 0.51
▸ CTSK P43235 1/20 0.51
▸ MMP8 P22894 6/20 0.49
▸ CNR2 P34972 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MMP1 P03956 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP12 P39900 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ MME P08473 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MTNR1A P48039 1/20 0.45

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
SCHEMBL25045737 0.88 MME (0.52) CNR2TSHRPSMB5SMN1; SMN2MME
SCHEMBL23154579 0.87 LMNA (0.56) CHRNB2CHRNB4CHRNA3CHRNA4CTSS
SCHEMBL13886178 0.85 PSMB5 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4CTSS
SCHEMBL24183729 0.82 CNR2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4MMP8
SCHEMBL23627513 0.82 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CTSS
SCHEMBL13019967 0.79 PSMB5 (0.60) MMP2MMP12MMP13PSMB5CTSB
SCHEMBL25139477 0.79 MMP2 (0.57) MMP1MMP2MMP12MMP13
SCHEMBL13886185 0.77 NR3C2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4MME
SCHEMBL20834910 0.77 TSHR (0.53) MMP8CNR2TSHRSMN1; SMN2ALDH1A1
SCHEMBL8309569 0.77 TSHR (0.53) MMP8CNR2TSHRSMN1; SMN2ALDH1A1

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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. 2009-11-26 — — 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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF PSMC4, PSMB6, EPOR CHRNB2 4766/4885CHRNB4 4750/4885CHRNA3 4782/4885

“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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