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SCHEMBL3133151

SCHEMBL3133151

CC(NC(=O)OC(C)(C)C)C(=O)N(C(=O)c1ccccc1F)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 6/20 0.40
▸ CTSS P25774 5/20 0.39
▸ CTSK P43235 4/20 0.39
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KAT6A Q92794 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RCE1 Q9Y256 1/20 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
SCHEMBL3141749 0.80 TLR7 (0.38) AAK1CTSSCTSKNPC1RAB9A
SCHEMBL9805646 0.78 POLB (0.45) CTSSCTSKHTTALDH1A1CTSB
SCHEMBL3134758 0.76 PPARG (0.41) CTSSCTSKCTSB
SCHEMBL15081462 0.76 CTSS (0.46) AAK1CTSSCTSKNPC1RAB9A
SCHEMBL18121553 0.73 CTSS (0.38) CTSSCTSK
SCHEMBL3133136 0.71 TP53 (0.50) AAK1CTSSCTSKMEN1KMT2A
SCHEMBL7718349 0.71 TP53 (0.50) AAK1CTSSCTSKMEN1KMT2A
SCHEMBL7721723 0.71 TP53 (0.50) AAK1CTSSCTSKMEN1KMT2A
SCHEMBL22312263 0.69 CTSS (0.43) AAK1CTSSCTSKMEN1KMT2A
SCHEMBL18660710 0.68 ALDH1A1 (0.49) AAK1CTSSCTSKNPC1RAB9A

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-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS COOK JAMES M 2010-01-07 — — US disclosed
US-7618958-B2 Convulsant disorders having the side effects of reduced alcohol craving in human alcoholics and a concomitant reduced sedative, hypnosis; Ethyl 8-bromo-6-phenyl-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate WISYS TECHNOLOGY FOUNDATION, INC. (US) 2009-11-17 — — US disclosed
US-20060003995-A1 Stereospecific anxiolytic and anticonvulsant agents with reduced muscle-relaxant, sedative-hypnotic and ataxic effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2006-01-05 — — 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 (2 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-20060003995-A1 Stereospecific anxiolytic and anticonvulsant agents with reduced muscle-relaxant, sedative-hypnotic and ataxic effects GABRE, GABRA6, GABRA5 AAK1 2121/4885CTSS 3818/4885CTSK 4659/4885
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS CHRNA6, GABRA6, CHRNA5 AAK1 1841/4885CTSS 3887/4885CTSK 4603/4885

“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.