SCHEMBL6096616

SCHEMBL6096616

CC(C)(C)OC(=O)N1CCc2ccc3ccn(CCOc4cccc5c4CCCC5(C)C)c3c2CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.36
BCHE P06276 3/20 0.35
HTR6 P50406 3/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
P2RX3 P56373 4/20 0.34
EPHX2 P34913 2/20 0.34
ESR2 Q92731 1/20 0.34
AVPR1A P37288 2/20 0.34
NR1H2 P55055 1/20 0.33
S1PR5 Q9H228 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL6098488 0.89 S1PR5 (0.37) S1PR5
SCHEMBL6099016 0.88 HTR7 (0.40) KDM1ABCHEHTR6JAK2JAK3
SCHEMBL6096133 0.82 P2RX3 (0.41) JAK2JAK3PTK2P2RX3EPHX2
SCHEMBL6096847 0.81 ALDH1A1 (0.44) JAK2JAK3PTK2EPHX2
SCHEMBL6098655 0.80 MCL1 (0.41) JAK2JAK3PTK2P2RX3ESR2
SCHEMBL6099479 0.80 HRH3 (0.39)
SCHEMBL6098270 0.78 ESR2 (0.44) JAK2JAK3PTK2P2RX3ESR2
SCHEMBL6099163 0.76 MCL1 (0.43) S1PR5
SCHEMBL6099152 0.71 ALDH1A1 (0.47) JAK2JAK3PTK2EPHX2ESR2
SCHEMBL6096543 0.71 ALDH1A1 (0.45) EPHX2ESR2

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 KDM1A 1862/4885BCHE 751/4885HTR6 6/4885

“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.