SCHEMBL18495334

SCHEMBL18495334

CCOC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)CNC(=O)CN

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ PPID Q08752 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ F10 P00742 2/20 0.45
▸ F2 P00734 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MMP8 P22894 3/20 0.43
▸ QRFPR Q96P65 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ NPFFR1 Q9GZQ6 1/20 0.42
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL18515814 0.90 OPRD1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4PPID
SCHEMBL18429328 0.90 OPRD1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4PPID
SCHEMBL24191552 0.81 F2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4F2
SCHEMBL18515815 0.80 OPRM1 (0.52) PPIDCTSS
SCHEMBL3860594 0.77 REN (0.52) CTSS
SCHEMBL3860587 0.77 REN (0.52) CTSS
SCHEMBL2586349 0.77 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4QRFPR
SCHEMBL2586350 0.77 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4QRFPR
SCHEMBL24191455 0.77 CTSS (0.55) CTSSCTSKQRFPR
SCHEMBL24191702 0.77 LTA4H (0.52) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11185594-B2 (Anti-HER2 antibody)-drug conjugate DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-11-30 — — US disclosed
US-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-02-09 — — US disclosed
US-20150241443-A1 MASS SPECTROMETRIC QUANTITATION ELECTROPHORETICS LIMITED (GB) 2015-08-27 — — 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-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE ERBB2, EGFR, LANCL2 CHRNB2 2880/4885CHRNB4 3787/4885CHRNA3 3744/4885
US-11185594-B2 (Anti-HER2 antibody)-drug conjugate ERBB2, EGFR, LANCL2 CHRNB2 2880/4885CHRNB4 3787/4885CHRNA3 3744/4885

“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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