SCHEMBL4407499

SCHEMBL4407499

CC(C)(C)OC(=O)N1CCN2Cc3cc(C(F)(F)F)ccc3OCC2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
GPR119 Q8TDV5 3/20 0.39
HDAC6 Q9UBN7 3/20 0.38
HDAC4 P56524 3/20 0.38
TACR1 P25103 1/20 0.37
STS P08842 1/20 0.37
MCL1 Q07820 1/20 0.37
RORC P51449 1/20 0.37
KRAS P01116 3/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ESR2 Q92731 1/20 0.36
ENPP2 Q13822 1/20 0.36
MMP13 P45452 1/20 0.36
SCD5 Q86SK9 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
SCHEMBL4418602 0.86 RIPK1 (0.46) STSKRASESR2
SCHEMBL4411026 0.86 USP30 (0.40) RORCKRASNR1H2ESR2SCD5
SCHEMBL4409890 0.85 MTNR1A (0.44) STSMMP13
SCHEMBL4410030 0.84 LMNA (0.39) MAPTGPR119KRASNR1H2ESR2
SCHEMBL4406512 0.83 USP30 (0.49) GPR119
SCHEMBL4407107 0.83 MAPK1 (0.44) GPR119KRASESR2
SCHEMBL4406534 0.81 ESR2 (0.40) GPR119KRASNR1H2ESR2SCD5
SCHEMBL24558408 0.80 KRAS (0.40) GPR119HDAC6KRASNR1H2ESR2
SCHEMBL24558218 0.80 KRAS (0.40) GPR119HDAC6KRASNR1H2ESR2
SCHEMBL24558105 0.80 KRAS (0.40) HDAC6KRASESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US 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-20090318412-A1 Tricyclic heterocyclic compound and use thereof HTR2C, HTR2A, HTR5A MAPT 3712/4885GPR119 234/4885HDAC6 745/4885

“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.