SCHEMBL4872138

SCHEMBL4872138

NC(=O)Cn1c2c(c3ccccc31)CC=C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.45
▸ HPGD P15428 1/20 0.44
▸ GLA P06280 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PTGDR2 Q9Y5Y4 3/20 0.36
▸ FABP3 P05413 1/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ TSPO P30536 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
SCHEMBL22212600 0.86 KDM4E (0.43) KDM4EHPGDGLAMEN1CASP1
SCHEMBL3237173 0.83 KDM4E (0.40) KDM4EHPGDGLAMEN1CASP1
SCHEMBL3322075 0.76 KDM4E (0.68) KDM4EHPGDGLAHDAC6IDO1
SCHEMBL4870982 0.74 ALDH1A1 (0.44) KDM4EHPGDGLAMEN1CASP1
SCHEMBL14197444 0.72 KDM4E (0.72) KDM4EGLAMEN1CASP1CASP7
SCHEMBL3235144 0.70 KDM4E (0.55) KDM4EGLAMEN1CASP1CASP7
SCHEMBL3243025 0.70 KDM4E (0.55) KDM4EGLAMEN1CASP1CASP7
SCHEMBL21168796 0.69 PTGDR2 (0.31) KDM4EGLAMEN1CASP1CASP7
SCHEMBL21779759 0.69 ALDH1A1 (0.45) KDM4EHPGDMEN1CASP1CASP7
Hydrochloric Acid SCHEMBL6480602 0.69 KDM4E (0.55) KDM4EGLAMEN1CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141563-B2 Process for the preparation of 1, 2, 3, 4, 8, 9, 10, 10a-octahydro-7bH-cyclopenta[b] [1, 4]diazepino[6, 7, 1-hi] indole derivatives WYETH (US) 2006-11-28 — — US claimed
US-20020058689-A1 Process for the preparation of 1, 2, 3, 4, 8, 9, 10, 10a-octahydro-7bH-cyclopenta[b] [1, 4]diazepino[6, 7, 1-hi]indole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-05-16 — — US claimed
US-7351839-B2 Process for the preparation of 1,2,3,4,8,9,10, 10a-octahydro-7bH-cyclopenta[b][1,4]diazepino-[6,7,1-hi]indole derivatives WYETH (US) 2008-04-01 — — US disclosed
US-20070066676-A1 Process for the preparation of 1,2,3,4,8,9,10, 10a-octahydro-7bH-cyclopenta[b][1,4]diazepino-[6,7,1-hi]indole derivatives WYETH (US) 2007-03-22 — — US disclosed
US-7141563-B2 Process for the preparation of 1, 2, 3, 4, 8, 9, 10, 10a-octahydro-7bH-cyclopenta[b] [1, 4]diazepino[6, 7, 1-hi] indole derivatives WYETH (US) 2006-11-28 — — US disclosed
EP-1330457-B1 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH CORP (US) 2004-10-20 — — EP disclosed
EP-1330457-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS Wyeth (US) 2003-07-30 — — EP 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-20020058689-A1 Process for the preparation of 1, 2, 3, 4, 8, 9, 10, 10a-octahydro-7bH-cyclopenta[b] [1, 4]diazepino[6, 7, 1-hi]indole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-05-16 — — 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-20020058689-A1 Process for the preparation of 1, 2, 3, 4, 8, 9, 10, 10a-octahydro-7bH-cyclopenta[b] [1, 4]diazepino[6, 7, 1-hi]indole derivatives HRH3, HTR1A, HTR7 KDM4E 1220/4885HPGD 1593/4885GLA 2946/4885
US-20070066676-A1 Process for the preparation of 1,2,3,4,8,9,10, 10a-octahydro-7bH-cyclopenta[b][1,4]diazepino-[6,7,1-hi]indole derivatives HRH4, HRH3, AHR KDM4E 1357/4885HPGD 2224/4885GLA 3786/4885

“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.

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