Sugi Predict

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SCHEMBL6163680

SCHEMBL6163680

CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3ccnn3C)c2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PORCN Q9H237 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CTSV O60911 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CBLB Q13191 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ P2RX7 Q99572 2/20 0.32
▸ BRD9 Q9H8M2 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6167160 0.89 POLB (0.35) PORCNCNR2CTSVCTSLCTSB
SCHEMBL27519234 0.85 CTSV (0.33) ALDH1A1MAPTMAPK1PORCNCTSV
SCHEMBL27519233 0.84 MAPT (0.33) ALDH1A1MAPTMAPK1PORCNCTSV
SCHEMBL6166114 0.83 HDAC6 (0.41) MAPTMAPK1DRD2DRD3MEN1
SCHEMBL6166534 0.81 KAT6A (0.35) ALDH1A1MAPTMAPK1P2RX7MEN1
SCHEMBL6163574 0.81 SLC16A3 (0.33) —
SCHEMBL6163633 0.81 GSK3B (0.38) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL6165430 0.80 MAPT (0.38) ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL6166386 0.80 NOTUM (0.38) ALDH1A1MAPTMAPK1P2RX7MEN1
SCHEMBL6164798 0.79 RAB9A (0.38) ALDH1A1MAPTMAPK1P2RX7NPC1

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-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 — — EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 — — EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 — — US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 — — US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 — — WO 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 ALDH1A1 316/4885MAPT 1155/4885MAPK1 2879/4885

“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.