SCHEMBL3607850

SCHEMBL3607850

CSc1ccc(N2CN3C(C(=O)OC(C)(C)C)CNCC3C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.40
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
P2RX3 P56373 3/20 0.32
CASP3 P42574 1/20 0.32
ROCK2 O75116 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL3607765 0.88 ALOX5 (0.34) GPR119CASP3
SCHEMBL3609805 0.87 ALDH1A1 (0.35)
SCHEMBL3604816 0.87 GPR119 (0.36) GPR119CASP3
SCHEMBL3609872 0.85 ALDH1A1 (0.37) PPARGPPARDPPARA
SCHEMBL3607136 0.85 GPR119 (0.42) GPR119CASP3HDAC1HDAC8HDAC6
SCHEMBL3604462 0.84 TSHR (0.40) CASP3HDAC1HDAC8HDAC6
SCHEMBL3608568 0.82 SLC6A2 (0.39) HDAC1HDAC8HDAC6
SCHEMBL3604176 0.82 ALDH1A1 (0.42)
SCHEMBL3608105 0.81 HDAC1 (0.34) CASP3HDAC1HDAC8HDAC6
SCHEMBL3610030 0.81 MAPK1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004249-A1 Bicyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2039695-A1 BICYCLIC HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-25 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-20100004249-A1 Bicyclic heterocyclic compound and use thereof HTR2C, HTR5A, HTR2A GPR119 268/4885PPARG 1175/4885PPARD 1694/4885

“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.