SCHEMBL4198503

SCHEMBL4198503

CC1CN(C(=O)OC(C)(C)C)CCc2ccc(OS(=O)(=O)C(F)(F)F)nc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.40
GPR119 Q8TDV5 7/20 0.36
RORC P51449 1/20 0.35
PDK2 Q15119 1/20 0.34
MAPT P10636 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
STS P08842 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL12540507 0.90 PDK2 (0.39) ESR2NR1H2GPR119RORCPDK2
SCHEMBL4208770 0.89 ESR2 (0.39) ESR2NR1H2GPR119RORC
SCHEMBL8063581 0.88 ESR2 (0.39) ESR2NR1H2GPR119RORCSTS
SCHEMBL30207741 0.83 ESR2 (0.44) ESR2NR1H2GPR119MAPTHDAC4
SCHEMBL4202187 0.83 ESR2 (0.44) ESR2NR1H2GPR119MAPTHDAC4
SCHEMBL4208156 0.82 ESR2 (0.36) ESR2NR1H2GPR119HDAC6STS
SCHEMBL30474177 0.82 ESR2 (0.48) ESR2NR1H2GPR119MAPTCA12
SCHEMBL31413140 0.82 ESR2 (0.48) ESR2NR1H2GPR119MAPTCA12
SCHEMBL17462495 0.80 ESR2 (0.44) ESR2NR1H2GPR119RORCSTS
SCHEMBL4208116 0.80 ESR2 (0.50) ESR2NR1H2GPR119MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A ESR2 550/4885NR1H2 873/4885GPR119 220/4885

“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.