SCHEMBL7006482

SCHEMBL7006482

Cc1cccc(OCS)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
MAOB P27338 2/20 0.49
DRD3 P35462 1/20 0.49
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
F2 P00734 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL891062 0.84 TP53 (0.45) MAOBLMNAALDH1A1
SCHEMBL16081703 0.83 DRD2 (0.56) ACHEDRD2DRD4DRD3KMT2A
SCHEMBL29381067 0.82 DRD2 (0.62) ACHEDRD2DRD4DRD3KMT2A
SCHEMBL10511421 0.82 ACHE (0.60) ACHEDRD2DRD4MAOBDRD3
SCHEMBL27465 0.82 DRD2 (0.62) ACHEDRD2DRD4DRD3KMT2A
Hydrochloric Acid SCHEMBL10555508 0.80 ACHE (0.58) ACHEDRD2DRD4MAOBDRD3
Hydrochloric Acid SCHEMBL10555496 0.80 ACHE (0.58) ACHEDRD2DRD4MAOBDRD3
SCHEMBL30167753 0.80 TP53 (0.61) ACHEDRD2DRD4MAOBDRD3
SCHEMBL129831 0.80 TP53 (0.61) ACHEDRD2DRD4MAOBDRD3
SCHEMBL11674802 0.80 DRD2 (0.66) ACHEDRD2DRD4DRD3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495540-B2 HEXAHYDROAZEPINE-2-ONE DERIVATIVE AS BETA-AMYLOID INHIBITOR BRISTOL - MYERS SQUIBB PHARMA COMPANY 2002-12-17 US claimed
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-24 US claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
EP-1267906-A1 LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
US-6495540-B2 HEXAHYDROAZEPINE-2-ONE DERIVATIVE AS BETA-AMYLOID INHIBITOR BRISTOL - MYERS SQUIBB PHARMA COMPANY 2002-12-17 US disclosed
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-24 US disclosed
WO-2001072324-A1 LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-10-04 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-20020010172-A1 Lactams as inhibitors of A-beta protein production BACE1, APP, APH1A ACHE 62/4885DRD2 4032/4885DRD4 4411/4885

“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.