SCHEMBL16893986

SCHEMBL16893986

CCCOC(=O)[C@@H](N)CCCCN.N=C=O.N=C=O.N=C=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.44
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
DPP7 Q9UHL4 8/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
TLR2 O60603 2/20 0.40
CPB2 Q96IY4 2/20 0.39
NOD1 Q9Y239 1/20 0.37
DPP4 P27487 3/20 0.35
ERAP2 Q6P179 2/20 0.33
LNPEP Q9UIQ6 1/20 0.33
ERAP1 Q9NZ08 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
SCHEMBL28284269 1.00 GSR (0.44) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL29233121 1.00 GSR (0.44) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL25173868 0.92 GNAI3 (0.46) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL28284288 0.92 GNAI3 (0.46) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL29233072 0.92 GNAI3 (0.46) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL6432150 0.92 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL5670259 0.92 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL29233108 0.91 GNAI3 (0.48) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL25173617 0.91 GNAI3 (0.48) GSRGNAI3GNAO1GNAI1DPP7
Hydrochloric Acid SCHEMBL5846878 0.90 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894064-B1 PROCESS FOR PREPARING MICROCAPSULES FIRMENICH & CIE (CH) 2023-11-15 EP claimed
US-20220072498-A1 PROCESS FOR PREPARING MICROCAPSULES FIRMENICH SA (CH) 2022-03-10 US claimed
EP-3894064-A1 PROCESS FOR PREPARING MICROCAPSULES Firmenich SA (CH) 2021-10-20 EP claimed
CN-113329812-A Method for preparing microcapsules 弗门尼舍有限公司 2021-08-31 CN claimed
WO-2020234262-A1 PROCESS FOR PREPARING MICROCAPSULES FIRMENICH SA (CH) 2020-11-26 WO claimed
EP-3894064-B1 PROCESS FOR PREPARING MICROCAPSULES FIRMENICH & CIE (CH) 2023-11-15 EP disclosed
US-20220072498-A1 PROCESS FOR PREPARING MICROCAPSULES FIRMENICH SA (CH) 2022-03-10 US disclosed
EP-3894064-A1 PROCESS FOR PREPARING MICROCAPSULES Firmenich SA (CH) 2021-10-20 EP disclosed
CN-113329812-A Method for preparing microcapsules 弗门尼舍有限公司 2021-08-31 CN disclosed
WO-2020234262-A1 PROCESS FOR PREPARING MICROCAPSULES FIRMENICH SA (CH) 2020-11-26 WO disclosed
US-20170121278-A1 METHODS AND COMPOSITIONS FOR MAKING AN AMINO ACID TRIISOCYANATE WARSAW ORTHOPEDIC INC (US) 2017-05-04 US disclosed
US-9573889-B2 Methods and compositions for making an amino acid triisocyanate WARSAW ORTHOPEDIC, INC. (US) 2017-02-21 US disclosed
US-20160168085-A1 METHODS AND COMPOSITIONS FOR MAKING AN AMINO ACID TRIISOCYANATE WARSAW ORTHOPEDIC INC (US) 2016-06-16 US disclosed
US-9266824-B2 Methods and compositions for making an amino acid triisocyanate WARSAW ORTHOPEDIC, INC. (US) 2016-02-23 US disclosed
US-20150197483-A1 METHODS AND COMPOSITIONS FOR MAKING AN AMINO ACID TRIHYDROCHLORIDE WARSAW ORTHOPEDIC, INC. (US) 2015-07-16 US disclosed
US-20150197488-A1 METHODS AND COMPOSITIONS FOR MAKING AN AMINO ACID TRIISOCYANATE WARSAW ORTHOPEDIC, INC. (US) 2015-07-16 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 (4 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-20170121278-A1 METHODS AND COMPOSITIONS FOR MAKING AN AMINO ACID TRIISOCYANATE AADAT, AGT, PHYKPL GSR 3482/4885GNAI3 2200/4885GNAO1 2579/4885
US-20150197483-A1 METHODS AND COMPOSITIONS FOR MAKING AN AMINO ACID TRIHYDROCHLORIDE ALKBH3, AADAT, ALKBH1 GSR 4740/4885GNAI3 2467/4885GNAO1 2526/4885
US-20150197488-A1 METHODS AND COMPOSITIONS FOR MAKING AN AMINO ACID TRIISOCYANATE AADAT, AGT, PHYKPL GSR 3482/4885GNAI3 2200/4885GNAO1 2579/4885
US-20160168085-A1 METHODS AND COMPOSITIONS FOR MAKING AN AMINO ACID TRIISOCYANATE AADAT, AGT, PHYKPL GSR 3482/4885GNAI3 2200/4885GNAO1 2579/4885

“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.