SCHEMBL17813693

SCHEMBL17813693

CCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)C2(C(=O)NCCCCCN3C(=O)C=CC3=O)CCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.36
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ SIRT2 Q8IXJ6 10/20 0.34
▸ SIRT1 Q96EB6 8/20 0.34
▸ SIRT3 Q9NTG7 3/20 0.34
▸ FAP Q12884 3/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ MYC P01106 1/20 0.33

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 0.93 HDAC3 (0.37) RAB9AOPRM1OPRD1OPRK1SIRT2
SCHEMBL17801960 0.93 ITGB1 (0.34) OPRM1OPRD1OPRK1SIRT2SIRT1
SCHEMBL16847844 0.93 OPRM1 (0.33) OPRM1OPRD1OPRK1SIRT2SIRT1
SCHEMBL22698603 0.91 SIRT2 (0.35) OPRM1OPRD1OPRK1SIRT2SIRT1
SCHEMBL17650868 0.91 HDAC3 (0.32) OPRM1OPRD1OPRK1SIRT2SIRT1
SCHEMBL20830828 0.90 SIRT2 (0.34) OPRM1OPRD1OPRK1SIRT2SIRT1
SCHEMBL19683931 0.90 SIRT2 (0.37) SIRT2SIRT1SIRT3FAP
SCHEMBL28953170 0.89 SIRT2 (0.38) SIRT2SIRT1SIRT3FAP
SCHEMBL21695307 0.88 OPRM1 (0.34) RAB9AOPRM1OPRD1OPRK1PSEN1
SCHEMBL25092066 0.87 MEN1 (0.37) RAB9ASIRT2SIRT1SIRT3PSEN1

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-20170232113-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2017-08-17 — — US disclosed
WO-2016090050-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-06-09 — — WO 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-20170232113-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF H1-5, H1-4, CD47 RAB9A 1399/4885OPRM1 2448/4885OPRD1 4102/4885

“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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