SCHEMBL6098296

SCHEMBL6098296

CCOC(=O)Cn1ccc2ccc3c(c21)CCN(C(=O)OC(C)(C)C)CC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 1/20 0.37
JAK2 O60674 2/20 0.37
JAK3 P52333 2/20 0.37
PTK2 Q05397 1/20 0.37
GRM5 P41594 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 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
SCHEMBL6097281 0.86 JAK2 (0.36) KDM4EJAK2JAK3KMT2AMEN1
SCHEMBL6098270 0.83 ESR2 (0.44) ESR2NR1H2ADORA1KDM4EJAK2
SCHEMBL6098655 0.78 MCL1 (0.41) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL6096133 0.76 P2RX3 (0.41) ESR2NR1H2KDM4EJAK2JAK3
SCHEMBL6099016 0.75 HTR7 (0.40) ESR2JAK2JAK3PTK2
SCHEMBL15506514 0.73 ADORA1 (0.49) ESR2NR1H2ADORA1KDM4EGPR119
SCHEMBL6096847 0.73 ALDH1A1 (0.44) KDM4EJAK2JAK3PTK2GRM5
SCHEMBL15503183 0.72 ESR2 (0.50) ESR2NR1H2ADORA1GRM5GPR119
SCHEMBL6096616 0.71 KDM1A (0.36) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL15502944 0.71 ESR2 (0.53) ESR2NR1H2ADORA1GRM5GPR119

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 ESR2 1656/4885NR1H2 1501/4885ADORA1 38/4885

“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.