SCHEMBL6167410

SCHEMBL6167410

CC(C)CC(N)C(=O)N1CCCC1COCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.48
DPP8 Q6V1X1 5/20 0.48
DPP9 Q86TI2 3/20 0.48
DPP7 Q9UHL4 3/20 0.48
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
ABHD6 Q9BV23 1/20 0.47
DAGLA Q9Y4D2 1/20 0.47
FAP Q12884 1/20 0.47
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
CACNA1B Q00975 1/20 0.44

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
SCHEMBL4442691 0.87 DPP4 (0.53) DPP4DPP8DPP9DPP7OPRM1
SCHEMBL13413212 0.83 FKBP1A (0.57) DPP4DPP8DPP9DPP7ACE2
SCHEMBL13034341 0.81 XIAP (0.45) ABHD6DAGLAACE2
SCHEMBL19617254 0.80 ABHD6 (0.56) DPP4ABHD6DAGLA
SCHEMBL15811762 0.80 ABHD6 (0.56) DPP4ABHD6DAGLA
SCHEMBL6360197 0.80 ABHD6 (0.56) DPP4ABHD6DAGLA
SCHEMBL4665023 0.80 DPP4 (0.48) DPP4DPP8DPP9DPP7OPRM1
SCHEMBL6789297 0.79 FKBP1A (0.53)
SCHEMBL6789293 0.79 FKBP1A (0.53)
SCHEMBL13034339 0.79 STAT6 (0.46) ABHD6DAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272667-A1 Analogs and derivatives of (S,S,R)-(-)-actinonin and uses therefor SCHEINBERG DAVID 2005-12-08 US disclosed
EP-1372692-A4 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR SLOAN KETTERING INST CANCER (US) 2005-10-26 EP disclosed
US-6887887-B2 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2005-05-03 US disclosed
US-20040019083-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2004-01-29 US disclosed
EP-1372692-A2 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR Sloan Kettering Institute For Cancer Research (US) 2004-01-02 EP disclosed
US-6660741-B2 Coupling an O-protected methoxypyrrolidine or derivatives with N-protected amino acid 2,5-dioxo-pyrrolidinyl ester to form intermediate, deportecting with trifluoroacetic acid to form pyrrolidine-1-carbonyl-2-methylamine or derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-12-09 US disclosed
US-20020198156-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2002-12-26 US disclosed
WO-2002074050-A2 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2002-09-26 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 (3 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-20020198156-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor HASPIN, CYTH2, ACTR3 DPP4 4678/4885DPP8 4804/4885DPP9 4880/4885
US-20040019083-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor HASPIN, CYTH2, CYTH3 DPP4 4641/4885DPP8 4783/4885DPP9 4880/4885
US-20050272667-A1 Analogs and derivatives of (S,S,R)-(-)-actinonin and uses therefor CYTH3, ACTR3, HASPIN DPP4 4609/4885DPP8 4753/4885DPP9 4879/4885

“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.