SCHEMBL2775385

SCHEMBL2775385

CCc1cc2cc(CCc3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4C#N)cc3)c2s1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.48
PPARG P37231 3/20 0.47
CNR1 P21554 2/20 0.41
ACHE P22303 1/20 0.40
CNR2 P34972 1/20 0.38
DPP4 P27487 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
SCHEMBL2773956 0.82 AGTR1 (0.51) AGTR1PPARGCNR1ACHE
SCHEMBL2775822 0.82 AGTR1 (0.62) AGTR1
SCHEMBL2776071 0.82 AGTR1 (0.50) AGTR1PPARG
SCHEMBL2774200 0.80 AGTR1 (0.55) AGTR1PPARG
SCHEMBL2775718 0.79 AGTR1 (0.51) AGTR1PPARGACHE
SCHEMBL2773551 0.78 AGTR1 (0.57) AGTR1PPARGCNR1ACHECNR2
SCHEMBL2773642 0.77 AGTR1 (0.73) AGTR1PPARG
SCHEMBL2774346 0.76 AGTR1 (0.47) AGTR1PPARG
SCHEMBL2779116 0.75 AGTR1 (0.56) AGTR1PPARGACHE
SCHEMBL2774436 0.74 AGTR1 (0.62) AGTR1

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 9 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

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 99/4885PPARG 83/4885CNR1 986/4885

“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.