SCHEMBL103607

SCHEMBL103607

C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ccc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.42
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 4/20 0.35
RORC P51449 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KLK7 P49862 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MCL1 Q07820 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
SCHEMBL103956 0.88 GPR119 (0.42) GPR119PDK1PDK2PDK3PDK4
SCHEMBL106246 0.88 GPR119 (0.42) GPR119PDK1PDK2PDK3PDK4
SCHEMBL104269 0.85 GPR119 (0.40) GPR119PDK1PDK2PDK3PDK4
SCHEMBL104268 0.85 GPR119 (0.40) GPR119PDK1PDK2PDK3PDK4
SCHEMBL103920 0.84 ALDH1A1 (0.43) GPR119ALDH1A1LMNAMAPTRORC
SCHEMBL103004 0.81 MAPT (0.49) ALDH1A1LMNAMAPTRORCMEN1
SCHEMBL3435963 0.79 GPR119 (0.45) GPR119ALDH1A1LMNAMAPTMEN1
SCHEMBL103405 0.75 KMT2A (0.46) GPR119ALDH1A1LMNAMAPTMEN1
SCHEMBL103872 0.73 SMARCA2 (0.43) GPR119PDK1PDK2PDK3PDK4
SCHEMBL103871 0.73 SMARCA2 (0.43) GPR119PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 GPR119 16/4885PDK1 3459/4885PDK2 2979/4885

“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.