SCHEMBL6099016

SCHEMBL6099016

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.40
SSTR4 P31391 1/20 0.40
S1PR5 Q9H228 10/20 0.39
ABHD6 Q9BV23 1/20 0.38
BCHE P06276 2/20 0.38
HTR6 P50406 2/20 0.38
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
KDM1A O60341 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL6096616 0.88 KDM1A (0.36) S1PR5BCHEHTR6KDM1AJAK2
SCHEMBL6099163 0.87 MCL1 (0.43) HTR7S1PR5BCL2BCL2L1MCL1
SCHEMBL6096133 0.87 P2RX3 (0.41) SSTR4JAK2JAK3PTK2ESR2
SCHEMBL6096847 0.85 ALDH1A1 (0.44) JAK2JAK3PTK2
SCHEMBL6098655 0.84 MCL1 (0.41) MCL1JAK2JAK3PTK2ESR2
SCHEMBL6098270 0.82 ESR2 (0.44) JAK2JAK3PTK2ESR2
SCHEMBL6474790 0.77 HDAC1 (0.49) HTR7SSTR4ABHD6BCHEHTR6
SCHEMBL6098488 0.77 S1PR5 (0.37) HTR7SSTR4S1PR5ABHD6BCL2
SCHEMBL6096642 0.76 HRH3 (0.46) HTR7HTR6BCL2BCL2L1MCL1
SCHEMBL6099152 0.75 ALDH1A1 (0.47) JAK2JAK3PTK2ESR2

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 HTR7 7/4885SSTR4 128/4885S1PR5 141/4885

“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.