SCHEMBL2772882

SCHEMBL2772882

CCCc1cc2c(=O)[nH]c(=O)n(Cc3ccc(-c4ccccc4C#N)cc3F)c2s1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.68
GRIN1 Q05586 7/20 0.39
GRIN2B Q13224 7/20 0.39
PPARG P37231 2/20 0.38

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
SCHEMBL2774439 0.93 AGTR1 (0.78) AGTR1GRIN1GRIN2B
SCHEMBL2776980 0.83 AGTR1 (0.57) AGTR1GRIN1GRIN2B
SCHEMBL2773778 0.82 AGTR1 (0.67) AGTR1GRIN1GRIN2B
SCHEMBL2776206 0.81 AGTR1 (1.00) AGTR1GRIN1GRIN2B
SCHEMBL2773642 0.79 AGTR1 (0.73) AGTR1PPARG
SCHEMBL2774835 0.77 AGTR1 (0.54) AGTR1GRIN1GRIN2B
SCHEMBL2774060 0.76 AGTR1 (0.61) AGTR1GRIN1GRIN2B
SCHEMBL2774027 0.75 AGTR1 (0.58) AGTR1PPARG
SCHEMBL1895425 0.74 PPARG (0.48) AGTR1GRIN1GRIN2BPPARG
SCHEMBL2775622 0.73 AGTR1 (0.46) AGTR1GRIN1GRIN2BPPARG

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
US-8501750-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501750-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501750-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
EP-2253630-A1 Heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
EP-2253630-A1 Heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
EP-2151440-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-02-10 EP disclosed
EP-2151440-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-02-10 EP 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-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF PCSK9, APOB, REN AGTR1 99/4885GRIN1 121/4885GRIN2B 171/4885

“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.