SCHEMBL379244

SCHEMBL379244

CC(=O)N1CCNc2ccccc2C1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.66
NOTUM Q6P988 3/20 0.58
HPGD P15428 1/20 0.54
AHR P35869 2/20 0.50
HSD17B3 P37058 1/20 0.47
DPP4 P27487 1/20 0.45
PTAFR P25105 1/20 0.41
NAMPT P43490 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
F12 P00748 3/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
AVPR1A P37288 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL2818152 0.85 MAPK1 (0.63) MAPK1NOTUMHPGDAHRHSD17B3
SCHEMBL30252940 0.84 MAPK1 (0.62) MAPK1NOTUMHPGDAHRHSD17B3
SCHEMBL11966963 0.84 MAPK1 (0.58) MAPK1NOTUMHPGDAHRHSD17B3
SCHEMBL19644152 0.83 MAPK1 (0.61) MAPK1NOTUMHPGDAHRDPP4
SCHEMBL19652058 0.83 MAPK1 (0.69) MAPK1NOTUMHPGDAHRDPP4
SCHEMBL7563761 0.80 MAPK1 (0.45) MAPK1NOTUMHPGDAHRDPP4
SCHEMBL537566 0.80 MAPK1 (1.00) MAPK1HPGDAHRNAMPTMAPT
SCHEMBL6618480 0.79 MAPK1 (0.56) MAPK1NOTUMHPGDAHRDPP4
SCHEMBL11882123 0.77 TMPRSS2 (0.58) MAPK1NOTUMHPGDAHRDPP4
SCHEMBL19657579 0.77 MAPK1 (0.54) MAPK1NOTUMHPGDAHRHSD17B3

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
CN-101657411-B Preparation methods of 4-acetyl-2,3,4,5-tetrahydro- benzo[1,4]diazepine and their intermediates TOPHARMAN SHANGHAI CO LTD 2013-04-10 CN disclosed
CN-101657411-B Preparation methods of 4-acetyl-2,3,4,5-tetrahydro- benzo[1,4]diazepine and their intermediates TOPHARMAN SHANGHAI CO LTD 2013-04-10 CN disclosed
US-8242264-B2 Process for preparing 4-acetyl-2,3,4,5-tetrahydro-benzo[1,4]diazepine and the intermediates thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2012-08-14 US disclosed
US-8242264-B2 Process for preparing 4-acetyl-2,3,4,5-tetrahydro-benzo[1,4]diazepine and the intermediates thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2012-08-14 US disclosed
US-8242264-B2 Process for preparing 4-acetyl-2,3,4,5-tetrahydro-benzo[1,4]diazepine and the intermediates thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2012-08-14 US disclosed
US-8242264-B2 Process for preparing 4-acetyl-2,3,4,5-tetrahydro-benzo[1,4]diazepine and the intermediates thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2012-08-14 US disclosed
US-8242264-B2 Process for preparing 4-acetyl-2,3,4,5-tetrahydro-benzo[1,4]diazepine and the intermediates thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2012-08-14 US disclosed
EP-2163538-B1 PREPARATION METHODS OF 4-ACETYL-2,3,4,5-TETRAHYDRO- BENZO[1,4]DIAZEPINE AND THEIR INTERMEDIATES TOPHARMAN SHANGHAI CO LTD (CN) 2012-01-25 EP disclosed
EP-2163538-B1 PREPARATION METHODS OF 4-ACETYL-2,3,4,5-TETRAHYDRO- BENZO[1,4]DIAZEPINE AND THEIR INTERMEDIATES TOPHARMAN SHANGHAI CO LTD (CN) 2012-01-25 EP disclosed
US-20040009970-A1 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH 2004-01-15 US disclosed
WO-2003091250-A1 [1,4]DIAZEPINO[6,7,1-IJ]QUINOLINE DERIVATIVES AS ANTI PSYCHOTIC AND ANTIOBESITY AGENTS WYETH (US) 2003-11-06 WO disclosed
EP-1330457-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS Wyeth (US) 2003-07-30 EP disclosed
US-6503900-B2 For treatment or prevention of disorders such as obsessive-compulsive disorder, depression, anxiety, schizophrenia WYETH 2003-01-07 US disclosed
US-20020119966-A1 Cycloocta[b][1,4]diazepino[6,7,1-hi]indoles and derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-08-29 US disclosed
US-20020107242-A1 Cyclopenta[b][1,4]diazepino[6,7,1-hi]indoles and derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-08-08 US disclosed
US-20020086860-A1 [1,4]Diazepino [6,7,1-jk] carbazoles and derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-07-04 US disclosed
WO-2002042304-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH (US) 2002-05-30 WO disclosed
US-20020062022-A1 Processes for preparation of cyclopenta [b] [1,4] diazepino [6,7,1-hi] indoles and derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-05-23 US disclosed
WO-2002036596-A2 CYCLOALKYL[b][1,4]DIAZEPINO[6,7,1-hi]INDOLES AND DERIVATIVES WYETH (US) 2002-05-10 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 (6 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-20020086860-A1 [1,4]Diazepino [6,7,1-jk] carbazoles and derivatives GRIK1, GRIK3, GRIK4 MAPK1 2104/4885NOTUM 3098/4885HPGD 4023/4885
US-20020107242-A1 Cyclopenta[b][1,4]diazepino[6,7,1-hi]indoles and derivatives CNR1, HCRTR1, HTR3C MAPK1 2454/4885NOTUM 3260/4885HPGD 3338/4885
US-20020119966-A1 Cycloocta[b][1,4]diazepino[6,7,1-hi]indoles and derivatives HTR1A, HCRTR2, HTR3B MAPK1 1832/4885NOTUM 3843/4885HPGD 3535/4885
US-20020062022-A1 Processes for preparation of cyclopenta [b] [1,4] diazepino [6,7,1-hi] indoles and derivatives AHR, HTR1A, IDO1 MAPK1 565/4885NOTUM 4153/4885HPGD 2977/4885
US-20040009970-A1 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR1A, HTR1D MAPK1 744/4885NOTUM 3531/4885HPGD 3428/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 MAPK1 662/4885NOTUM 2215/4885HPGD 1204/4885

“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.