SCHEMBL5556404

SCHEMBL5556404

CC(C)C1Oc2ccc(Br)cc2C(C(=O)NC2CCCCC2)N(CCSCc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CCR1 P32246 4/20 0.40
TSHR P16473 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.36

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
SCHEMBL5562551 0.92 HPGD (0.42) MAPTCCR1TSHRALDH1A1CYP3A4
SCHEMBL5561323 0.88 CCR1 (0.46) MAPTCCR1TSHRALDH1A1CYP3A4
SCHEMBL5556406 0.87 ALDH1A1 (0.36) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5561526 0.81 CASP1 (0.43) MAPTCCR1TSHRSMN1; SMN2HTT
SCHEMBL5562635 0.81 MAPT (0.43) MAPTCCR1TSHRALDH1A1CYP3A4
SCHEMBL5556392 0.80 TP53 (0.56) MAPTCCR1TSHRALDH1A1CYP3A4
SCHEMBL5562089 0.79 MAPT (0.44) MAPTCCR1TSHRALDH1A1CYP3A4
SCHEMBL5561543 0.79 ACKR3 (0.43) MAPTCCR1
SCHEMBL5555754 0.79 EPHX1 (0.42) MAPTCCR1TSHRALDH1A1CYP3A4
SCHEMBL5561808 0.79 TSHR (0.42) MAPTCCR1TSHRALDH1A1CYP3A4

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
EP-1631296-B1 2,3,4,5-TETRAHYDROBENZO¬F|¬1,4|OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2007-04-25 EP disclosed
US-7060698-B2 Benzoxazepinone derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-13 US disclosed
US-20040235819-A1 5-alkylaminocarbonyl-substituted, e.g., 4-(1-benzyl-piperidin-4-yl)-2-isopropyl-3-oxo-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine-5-carboxylic acid tert-butylamide; gamma -secretase inhibitors for the treatment of Alzheimer's disease. HOFFMANN-LA ROCHE INC. 2004-11-25 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-20040235819-A1 5-alkylaminocarbonyl-substituted, e.g., 4-(1-benzyl-piperidin-4-yl)-2-isopropyl-3-oxo-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine-5-carboxylic acid tert-butylamide; gamma -secretase inhibitors for the treatment of Alzheimer's disease. BACE1, BACE2, PSEN1 MAPT 318/4885CCR1 4708/4885TSHR 3014/4885

“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.