SCHEMBL13604100

SCHEMBL13604100

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HCRTR2 O43614 4/20 0.37
▸ PEPD P12955 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ PREP P48147 1/20 0.33
▸ FAP Q12884 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ HRH3 Q9Y5N1 4/20 0.33
▸ KCNH2 Q12809 2/20 0.33

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
Hydrochloric Acid SCHEMBL3814969 0.98 RAB9A (0.38) RAB9APOLBL3MBTL1HCRTR2PEPD
SCHEMBL3813322 0.79 RAB9A (0.44) RAB9AHCRTR2PEPDDPP4
SCHEMBL27904262 0.77 RAB9A (0.60) RAB9APEPD
SCHEMBL4576862 0.77 RAB9A (0.64) RAB9APOLBL3MBTL1HCRTR2DPP4
SCHEMBL27922142 0.76 RAB9A (0.44) RAB9AHCRTR2PEPDHTTPREP
SCHEMBL22082567 0.76 POLB (0.43) POLBL3MBTL1DPP4PREPFAP
SCHEMBL337037 0.75 HSD17B10 (0.48) L3MBTL1
SCHEMBL337349 0.75 HSD17B10 (0.48) L3MBTL1
SCHEMBL205359 0.75 HSD17B10 (0.48) L3MBTL1
SCHEMBL3810806 0.75 DPP4 (0.48) DPP4PREPFAPDPP8DPP9

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-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

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 3162/4885POLB 570/4885L3MBTL1 2900/4885

“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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