SCHEMBL3604816

SCHEMBL3604816

CC(C)(C)OC(=O)C1CNCC2C(=O)N(c3ccccc3)CN12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.36
MT-CO2 P00403 2/20 0.35
ALOX5 P09917 2/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
ACHE P22303 1/20 0.33
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33
USP30 Q70CQ3 1/20 0.32
RECQL P46063 1/20 0.32
CASP3 P42574 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
EPHX2 P34913 1/20 0.31
SSTR4 P31391 1/20 0.31

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
SCHEMBL3607457 0.91 USP30 (0.44) NR1H2NR1H3USP30
SCHEMBL3595736 0.90 FKBP1A (0.36) NR1H2NR1H3USP30
SCHEMBL3605596 0.89 ALDH1A1 (0.37) ALOX5
SCHEMBL3609805 0.89 ALDH1A1 (0.35)
SCHEMBL3597127 0.88 DDB1 (0.34) GPR119NR1H2NR1H3USP30CASP3
SCHEMBL3606731 0.88 OPRM1 (0.38) GPR119NR1H2NR1H3USP30CASP3
SCHEMBL3606120 0.88 POLB (0.37) ALOX5
SCHEMBL3601055 0.88 GPR119 (0.41) GPR119NR1H2NR1H3KDM4EPKM
SCHEMBL3603893 0.88 USP30 (0.35) PLA2G10PLA2G5NR1H2NR1H3USP30
SCHEMBL3609983 0.87 ALDH1A1 (0.36) ALOX5NR1H2NR1H3USP30

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 268/4885MT-CO2 2361/4885ALOX5 825/4885

“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.