SCHEMBL6098488

SCHEMBL6098488

CC1(C)CCCc2c(OCCn3ccc4ccc5c(c43)CCN(C(=O)O)CC5)cccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 11/20 0.37
HTR7 P34969 1/20 0.33
MCL1 Q07820 2/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
HTT P42858 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
SSTR4 P31391 1/20 0.31
ABHD6 Q9BV23 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31

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 0.89 KDM1A (0.36) S1PR5
SCHEMBL6099163 0.86 MCL1 (0.43) S1PR5HTR7MCL1BCL2BCL2L1
SCHEMBL6099479 0.83 HRH3 (0.39) HTTHRH3
SCHEMBL6095694 0.80 TDP1 (0.42) S1PR5
SCHEMBL6097342 0.79 KDM4E (0.48) HTT
SCHEMBL6097732 0.78 SMN1; SMN2 (0.45) MCL1HTT
SCHEMBL6099016 0.77 HTR7 (0.40) S1PR5HTR7MCL1BCL2BCL2L1
SCHEMBL6097566 0.74
SCHEMBL6096133 0.70 P2RX3 (0.41) SSTR4
SCHEMBL6096847 0.69 ALDH1A1 (0.44) HTT

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 S1PR5 141/4885HTR7 7/4885MCL1 2096/4885

“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.