SCHEMBL3629762

SCHEMBL3629762

COC(=O)C(N)Cc1ccc(-c2ccnc(C)c2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CIT O14578 6/20 0.45
ALDH1A1 P00352 1/20 0.40
TPH1 P17752 5/20 0.40
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL30167503 1.00 CIT (0.45) CITALDH1A1TPH1ITGA4ITGB7
SCHEMBL539489 1.00 CIT (0.45) CITALDH1A1TPH1ITGA4ITGB7
Hydrochloric Acid SCHEMBL539490 0.99 CIT (0.45) CITALDH1A1TPH1ITGA4ITGB7
Hydrochloric Acid SCHEMBL539367 0.99 CIT (0.45) CITALDH1A1TPH1ITGA4ITGB7
Hydrochloric Acid SCHEMBL31206084 0.99 CIT (0.45) CITALDH1A1TPH1ITGA4ITGB7
SCHEMBL26706405 0.87 CIT (0.42) CITTPH1PDCD1CD274
SCHEMBL26706360 0.86 KDM4E (0.40) CITALDH1A1ITGA4ITGB7KDM4E
SCHEMBL24073155 0.86 SLC7A5 (0.49) CITTPH1PTGS2KDM4EPDCD1
SCHEMBL28948045 0.86 SLC7A5 (0.49) CITTPH1PTGS2KDM4EPDCD1
Hydrochloric Acid SCHEMBL29106517 0.85 SLC7A5 (0.48) TPH1PTGS2KDM4EPDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115667268-A Preparation method of GLP-1 receptor agonist free base 杭州中美华东制药有限公司 2023-01-31 CN claimed
CN-115667268-A Preparation method of GLP-1 receptor agonist free base 杭州中美华东制药有限公司 2023-01-31 CN disclosed
WO-2021242806-A1 INTERMEDIATES AND METHODS FOR PREPARING A GLP-1 RECEPTOR AGONIST VTV THERAPEUTICS LLC (US) 2021-12-02 WO disclosed
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 US disclosed
EP-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 EP disclosed
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof VTV THERAPEUTICS LLC 2015-05-28 US disclosed
US-8987295-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-03-24 US disclosed
US-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-04-18 US disclosed
US-8383644-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-02-26 US disclosed
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 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 (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-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLP1R, GIPR, GPR119 CIT 2336/4885ALDH1A1 1899/4885TPH1 1016/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 CIT 2873/4885ALDH1A1 737/4885TPH1 485/4885

“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.