SCHEMBL6739735

SCHEMBL6739735

Brc1ccc2ccn(C3CCSCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.40
HTR6 P50406 1/20 0.38
HTR1D P28221 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
CDC7 O00311 1/20 0.35
CDK2 P24941 1/20 0.35
MAP3K14 Q99558 1/20 0.35
SCD O00767 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1F P30939 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 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
SCHEMBL28674631 0.89 HTR7 (0.47) HTR7HTR6HTR1DOPRM1OPRD1
SCHEMBL26676818 0.85 HTR7 (0.47) HTR7HTR6HTR1DOPRM1OPRD1
SCHEMBL31324662 0.84 HTR7 (0.51) HTR7HTR6HTR1DDRD2SLC6A4
Methane SCHEMBL28163314 0.83 HTR7 (0.50) HTR7HTR6HTR1DDRD2SLC6A4
SCHEMBL5871634 0.81 HTR7 (0.40) HTR7HTR6HTR1DDRD2SLC6A4
SCHEMBL6743242 0.81 HTR7 (0.40) HTR7HTR6HTR1DDRD2SLC6A4
SCHEMBL6742084 0.80 HTR1A (0.51) HTR7HTR6HTR1DOPRM1OPRD1
SCHEMBL21810391 0.78 HTR7 (0.39) HTR7HTR6CDC7CDK2MAP3K14
SCHEMBL26683759 0.76 HTR1A (0.42) HTR7HTR6HTR1DDRD2SLC6A4
SCHEMBL20612465 0.75 HTR1A (0.44) HTR7HTR6HTR1DDRD2SLC6A4

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 237/4885HTR1D 150/4885

“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.