SCHEMBL21695307

SCHEMBL21695307

CNC(=O)[C@H](CCCNC(N)=O)NC(=O)C1(C(=O)NCCCCCN2C(=O)C=CC2=O)CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ SPHK1 Q9NYA1 6/20 0.32
▸ PSEN1 P49768 2/20 0.31
▸ PSEN2 P49810 2/20 0.31
▸ APH1B Q8WW43 2/20 0.31
▸ NCSTN Q92542 2/20 0.31
▸ APH1A Q96BI3 2/20 0.31
▸ PSENEN Q9NZ42 2/20 0.31
▸ PTGS1 P23219 7/20 0.31
▸ PTGS2 P35354 7/20 0.31
▸ MGLL Q99685 3/20 0.31
▸ FAAH O00519 2/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL21695294 0.89 HDAC3 (0.37) OPRM1OPRD1OPRK1PSEN1PSEN2
SCHEMBL17813693 0.88 RAB9A (0.36) OPRM1OPRD1OPRK1PSEN1PSEN2
SCHEMBL16847844 0.87 OPRM1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL17650868 0.87 HDAC3 (0.32) OPRM1OPRD1OPRK1PSEN1PSEN2
SCHEMBL17801960 0.87 ITGB1 (0.34) OPRM1OPRD1OPRK1PSEN1PSEN2
SCHEMBL21695308 0.87 OPRM1 (0.36) OPRM1OPRD1OPRK1SPHK1PSEN1
SCHEMBL22698603 0.86 SIRT2 (0.35) OPRM1OPRD1OPRK1
SCHEMBL19683931 0.85 SIRT2 (0.37) —
SCHEMBL20830828 0.85 SIRT2 (0.34) OPRM1OPRD1OPRK1
SCHEMBL28953170 0.84 SIRT2 (0.38) —

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-10556895-B2 Quaternary amine compounds and antibody-drug conjugates thereof GENENTECH, INC. (US) 2020-02-11 — — 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-10556895-B2 Quaternary amine compounds and antibody-drug conjugates thereof H1-5, H1-4, CD47 OPRM1 2448/4885OPRD1 4102/4885OPRK1 3424/4885

“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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