SCHEMBL3813322

SCHEMBL3813322

NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.44
▸ DPP4 P27487 5/20 0.43
▸ PEPD P12955 1/20 0.39
▸ HCRTR2 O43614 4/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ SPHK2 Q9NRA0 2/20 0.37
▸ SPHK1 Q9NYA1 2/20 0.37
▸ TACR1 P25103 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL27904262 0.86 RAB9A (0.60) RAB9APEPDALDH1A1SMN1; SMN2
SCHEMBL27922142 0.85 RAB9A (0.44) RAB9APEPDHCRTR2ALDH1A1SMN1; SMN2
SCHEMBL7771061 0.81 RAB9A (0.53) RAB9ADPP4ALDH1A1
SCHEMBL13604100 0.79 RAB9A (0.38) RAB9ADPP4PEPDHCRTR2
Hydrochloric Acid SCHEMBL3814969 0.78 RAB9A (0.38) RAB9ADPP4PEPDHCRTR2
SCHEMBL30975227 0.76 DPP4 (0.48) DPP4
SCHEMBL3810806 0.75 DPP4 (0.48) DPP4
SCHEMBL12469911 0.75 RAB9A (0.47) RAB9ADPP4SPHK2SPHK1SMN1; SMN2
SCHEMBL4845588 0.74 DPP4 (0.44) RAB9ADPP4PEPDALDH1A1SMN1; SMN2
SCHEMBL4615013 0.74 DPP4 (0.44) RAB9ADPP4PEPDALDH1A1SMN1; SMN2

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
US-20090281352-A1 PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVES HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATES FOR PRODUCTION OF THE DERIVATIVES MITSUI CHEMICALS, INC. (JP) 2009-11-12 — — US disclosed
US-20090281352-A1 PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVES HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATES FOR PRODUCTION OF THE DERIVATIVES MITSUI CHEMICALS, INC. (JP) 2009-11-12 — — US disclosed
EP-2008997-A1 PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVE HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATED FOR PRODUCTION OF THE DERIVATIVE Mitsui Chemicals, Inc. (JP) 2008-12-31 — — EP disclosed
EP-2008997-A1 PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVE HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATED FOR PRODUCTION OF THE DERIVATIVE Mitsui Chemicals, Inc. (JP) 2008-12-31 — — 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-20090281352-A1 PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVES HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATES FOR PRODUCTION OF THE DERIVATIVES ASNS, GLUL, NAAA RAB9A 3162/4885DPP4 22/4885PEPD 12/4885

“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.

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