SCHEMBL6096847

SCHEMBL6096847

CC(C)(C)OC(=O)N1CCc2ccc3ccn(CCOc4cccc5cccnc45)c3c2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
EPHX2 P34913 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
PRMT5 O14744 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GRM5 P41594 2/20 0.36
CXCR3 P49682 1/20 0.36
EIF4EBP1 Q13541 1/20 0.36
MAPT P10636 2/20 0.36
GRM1 Q13255 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL6097342 0.88 KDM4E (0.48) ALDH1A1KDM4EHPGDHTTHSD17B10
SCHEMBL6099016 0.85 HTR7 (0.40) JAK2JAK3PTK2
SCHEMBL6096133 0.84 P2RX3 (0.41) KDM4EPOLBEPHX2JAK2JAK3
SCHEMBL6099152 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHTTPOLB
SCHEMBL6096543 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EHTTHSD17B10POLB
SCHEMBL6098655 0.82 MCL1 (0.41) HPGDHSD17B10SMN1; SMN2JAK2JAK3
SCHEMBL6096616 0.81 KDM1A (0.36) EPHX2JAK2JAK3PTK2
SCHEMBL6098270 0.80 ESR2 (0.44) KDM4EJAK2JAK3PTK2PRMT5
SCHEMBL6097603 0.78 MAPT (0.41) ALDH1A1KDM4EHPGDHTTHSD17B10
SCHEMBL6098296 0.73 ESR2 (0.41) ALDH1A1KDM4ESMN1; SMN2JAK2JAK3

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 479/4885KDM4E 1450/4885HPGD 1569/4885

“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.