SCHEMBL6742428

SCHEMBL6742428

Brc1ccc2ccn(C3CCN4CCCC4C3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.50
HTR6 P50406 2/20 0.49
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
NOS3 P29474 3/20 0.38
NOS1 P29475 3/20 0.38
L3MBTL3 Q96JM7 5/20 0.38
MBTD1 Q05BQ5 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NOS2 P35228 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
SCHEMBL26676818 0.81 HTR7 (0.47) HTR7HTR6OPRM1OPRD1OPRK1
SCHEMBL30909064 0.81 OPRM1 (0.58) HTR7HTR6OPRM1OPRD1OPRK1
SCHEMBL6775059 0.81 OPRM1 (0.58) HTR7HTR6OPRM1OPRD1OPRK1
SCHEMBL31324662 0.80 HTR7 (0.51) HTR7HTR6NOS3NOS1NOS2
Methane SCHEMBL28163314 0.79 HTR7 (0.50) HTR7HTR6NOS3NOS1NOS2
SCHEMBL28674631 0.78 HTR7 (0.47) HTR7HTR6OPRM1OPRD1OPRK1
SCHEMBL30909174 0.77 OPRM1 (0.56) HTR7HTR6OPRM1OPRD1OPRK1
SCHEMBL7570882 0.76 OPRM1 (0.39) HTR6OPRM1OPRD1OPRK1OPRL1
SCHEMBL6742084 0.76 HTR1A (0.51) HTR7HTR6OPRM1OPRD1OPRK1
SCHEMBL20612465 0.74 HTR1A (0.44) HTR7HTR6NOS3NOS1NOS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR7 3/4885HTR6 237/4885OPRM1 55/4885

“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.