SCHEMBL6167360

SCHEMBL6167360

CC(C)(C)OC(=O)CC(=O)c1cccc(-c2cc(COC3CCCCO3)on2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
PRKD1 Q15139 3/20 0.38
USP30 Q70CQ3 1/20 0.38
PKM P14618 1/20 0.35
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
EPHX2 P34913 1/20 0.35
GABRA5 P31644 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6612867 0.89 NPC1 (0.39) NPC1RAB9APRKD1EP300CREBBP
SCHEMBL6167701 0.86 NPC1 (0.44) NPC1RAB9APRKD1PKMMEN1
SCHEMBL6166741 0.86 MLLT1 (0.39) NPC1RAB9APRKD1USP30MEN1
SCHEMBL6164987 0.83 SLC6A9 (0.37) USP30EP300CREBBPGABRA5MEN1
SCHEMBL6168187 0.82 HRH3 (0.36) NPC1RAB9AUSP30PKMEP300
SCHEMBL6164047 0.82 GABRA5 (0.40) USP30EP300CREBBPGABRA5MEN1
SCHEMBL6165780 0.82 CPT2 (0.39) RAB9AUSP30
SCHEMBL5557855 0.82 USP30 (0.38) NPC1RAB9AUSP30EP300CREBBP
SCHEMBL6164671 0.81 ALDH1A1 (0.38) NPC1RAB9AUSP30EP300CREBBP
SCHEMBL5562921 0.81 USP30 (0.37) NPC1RAB9AUSP30EP300CREBBP

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 6 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-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US 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-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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

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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 NPC1 947/4885RAB9A 1379/4885PRKD1 3191/4885
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 NPC1 494/4885RAB9A 999/4885PRKD1 3063/4885

“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.