SCHEMBL6099152

SCHEMBL6099152

CC(C)(C)OC(=O)N1CCc2ccc3ccn(CCOc4c(Br)cc(Br)c5cccnc45)c3c2CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXFP1 Q9HBX9 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DTYMK P23919 1/20 0.36
SGMS1 Q86VZ5 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
POLB P06746 2/20 0.35
EPHX2 P34913 1/20 0.34
ESR2 Q92731 1/20 0.34
NR1H2 P55055 1/20 0.34
GRM5 P41594 3/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL6099743 0.89 KDM4E (0.51) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL6096543 0.88 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL6096847 0.84 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL6099897 0.80 KDM4E (0.41) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL6098655 0.79 MCL1 (0.41) HPGDESR2NR1H2JAK2JAK3
SCHEMBL6098270 0.76 ESR2 (0.44) MAPTKDM4EMEN1KMT2AESR2
SCHEMBL6096133 0.76 P2RX3 (0.41) MAPTKDM4ELMNATDP1RXFP1
SCHEMBL6099016 0.75 HTR7 (0.40) ESR2JAK2JAK3PTK2
SCHEMBL6097342 0.72 KDM4E (0.48) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL6096616 0.71 KDM1A (0.36) EPHX2ESR2NR1H2JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022694-B2 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY (US) 2006-04-04 US disclosed
EP-1406902-B1 HEXAHYDROAZEPINO[4,5-G]INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2005-10-19 EP disclosed
EP-1406902-A1 HEXAHYDROAZEPINO(4,5-G)INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
US-20030060458-A1 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY 2003-03-27 US disclosed
WO-2003006466-A1 HEXAHYDROAZEPINO (4, 5-G) INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-23 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-20030060458-A1 Indoles and indolines having 5-HT activity TPH1, HTR5A, TPH2 ALDH1A1 479/4885MAPT 2607/4885KDM4E 1450/4885

“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.