SCHEMBL6741065

SCHEMBL6741065

CC(C)n1ccc2ccc(C3CCN4CCCC4C3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.53
TLR9 Q9NR96 6/20 0.35
TLR8 Q9NR97 6/20 0.35
TLR7 Q9NYK1 6/20 0.35
HTR1D P28221 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
SLC18A3 Q16572 1/20 0.33
HTR4 Q13639 1/20 0.33
HTR7 P34969 4/20 0.33
LTA4H P09960 1/20 0.33
JAK2 O60674 1/20 0.32
EGFR P00533 1/20 0.32
CDK2 P24941 1/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32

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
SCHEMBL6782259 0.78 QDPR (0.48) HTR6TLR9TLR8TLR7HTR1D
SCHEMBL6741343 0.77 SLC6A2 (0.48) HTR1DMAPK11MAPK14
SCHEMBL6741123 0.76 HTR6 (0.51) HTR6TLR9TLR8TLR7SLC18A3
SCHEMBL15785392 0.72 HPGD (0.45) HTR6TLR9TLR8TLR7SLC18A3
SCHEMBL8001727 0.71 HTR6 (0.45) HTR6TLR9TLR8TLR7HTR1D
SCHEMBL6739973 0.71 HTR6 (0.45) HTR6TLR9TLR8TLR7HTR1D
SCHEMBL15787994 0.70 SLC18A3 (0.53) HTR6SLC18A3LTA4H
SCHEMBL7872490 0.69 HTR6 (0.55) HTR6HTR7
SCHEMBL6741142 0.68 HTR6 (0.42) HTR6MAPK11MAPK14OPRM1OPRD1
SCHEMBL12070787 0.68 SLC18A3 (0.53) HTR6SLC18A3LTA4HEGFR

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-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US claimed
US-20040167158-A1 Heterocyclic compounds for the treatment of migraine NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-08-26 US disclosed
US-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US disclosed
EP-1196380-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2002-04-17 EP disclosed
WO-2001005758-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS ALLELIX CORP. (CA) 2001-01-25 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-20040167158-A1 Heterocyclic compounds for the treatment of migraine SCN7A, CNR2, HTR7 HTR6 237/4885TLR9 1161/4885TLR8 899/4885

“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.