SCHEMBL8996250

SCHEMBL8996250

NC(=O)C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EEF2K O00418 1/20 0.51
▸ TACR1 P25103 6/20 0.48
▸ CACNA1F O60840 2/20 0.48
▸ CACNA1D Q01668 2/20 0.48
▸ CACNA1S Q13698 2/20 0.48
▸ CACNA1C Q13936 2/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ LDHA P00338 2/20 0.44
▸ LDHB P07195 2/20 0.44
▸ KIF11 P52732 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ FPR2 P25090 1/20 0.42
▸ ACP3 P15309 1/20 0.42

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
SCHEMBL8996304 1.00 EEF2K (0.51) EEF2KTACR1CACNA1FCACNA1DCACNA1S
SCHEMBL13674804 0.84 DCAF1 (0.51) NPC1RAB9AFNTAFNTB
SCHEMBL8996065 0.81 EEF2K (0.46) EEF2KTACR1NPC1RAB9AFNTA
SCHEMBL8996091 0.81 EEF2K (0.46) EEF2KTACR1NPC1RAB9AFNTA
SCHEMBL8996270 0.80 LDHA (0.47) EEF2KTACR1CACNA1FCACNA1DCACNA1S
SCHEMBL8996302 0.80 LDHA (0.47) EEF2KTACR1CACNA1FCACNA1DCACNA1S
SCHEMBL4438449 0.79 CACNA1A (0.56) EEF2KTACR1CACNA1CPDPK1KIF11
SCHEMBL9065441 0.78 FPR2 (0.48) NPC1RAB9ALDHALDHBKIF11
SCHEMBL8996223 0.77 KIF11 (0.47) KIF11CA12CA1MMP2FPR2
SCHEMBL8996174 0.77 KIF11 (0.47) KIF11CA12CA1MMP2FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594843-B1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE beta-amino acid derivative TAKASAGO PERFUMERY CO LTD (JP) 2013-05-22 — — EP disclosed
US-8188307-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-29 — — US disclosed
US-8188307-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-29 — — US disclosed
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL COPORATION (JP) 2010-02-11 — — US disclosed
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL COPORATION (JP) 2010-02-11 — — 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-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE AADAT, KMO, ALDH7A1 EEF2K 115/4885TACR1 3173/4885CACNA1F 3211/4885

“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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