SCHEMBL6328564

SCHEMBL6328564

ON=C1c2ccccc2CCC1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 3/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 3/20 0.35
CES1 P23141 1/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
CYP19A1 P11511 1/20 0.34
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 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
SCHEMBL8736255 1.00 HPGD (0.44) HPGDL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL6328560 1.00 HPGD (0.44) HPGDL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL3370115 0.79 HPGD (0.49) HPGDL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL3370114 0.79 HPGD (0.49) HPGDL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL30363500 0.79 HPGD (0.49) HPGDL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL10041963 0.79 HPGD (0.49) HPGDL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL8886079 0.76 CYP19A1 (0.45) HPGDL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL6181741 0.75 HPGD (0.41) HPGDL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL7170156 0.72 CYP19A1 (0.52) HPGDL3MBTL1CYP19A1
SCHEMBL12460878 0.72 HPGD (0.39) HPGDL3MBTL1MAPTALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113149907-A Synthetic method of 3-bromo-1, 3,4, 5-tetrahydro-2H-1-benzazepin-2-one 河南普美济华医药科技有限公司 2021-07-23 CN claimed
CN-113149907-A Synthetic method of 3-bromo-1, 3,4, 5-tetrahydro-2H-1-benzazepin-2-one 河南普美济华医药科技有限公司 2021-07-23 CN disclosed
CN-113149907-A Synthetic method of 3-bromo-1, 3,4, 5-tetrahydro-2H-1-benzazepin-2-one 河南普美济华医药科技有限公司 2021-07-23 CN disclosed
US-6951872-B2 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-04 US disclosed
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors JACOBSON IRINA C (US) 2004-07-08 US disclosed
US-6710058-B2 USE AS ANTICOAGULANT AGENTS FOR THERAPY AND PROPHYLAXIS OFTHROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-23 US disclosed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed
US-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-05 US disclosed
US-5783573-A Pharmaceuticals which promote gastrointestinal blood circulation SOLVAY PHARMACEUTICALS GMBH (DE) 1998-07-21 US disclosed
US-5677297-A ENZYME INHIBITOR FOR TREATING THE HEART FAILURE TO REDUCE THE CARDIAC PRESSURE, DIURETICS SOLVAY PHARMACEUTICALS GMBH (DE) 1997-10-14 US disclosed
US-4600534-A Process and intermediates for manufacture of 3-(5-amino-1-carboxypentylamino)-tetrahydro-1-benzazepin-2-one-1-acetic acid CIBA-GEIGY CORPORATION (US) 1986-07-15 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-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 HPGD 1181/4885L3MBTL1 4275/4885MAPT 4826/4885
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 HPGD 1181/4885L3MBTL1 4275/4885MAPT 4826/4885

“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.