SCHEMBL6741087

SCHEMBL6741087

CN1CCN(c2ccc3ccn(-c4ccsc4)c3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.48
DRD2 P14416 4/20 0.48
HTR1A P08908 1/20 0.48
HTR3A P46098 1/20 0.47
HRH4 Q9H3N8 1/20 0.44
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
PTK2B Q14289 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR7 P34969 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
ADRA2C P18825 2/20 0.38

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
SCHEMBL6745951 0.81 HTR6 (0.50) HTR6DRD2HTR1AHTR3AKDM4E
SCHEMBL7594713 0.76 HTR3A (0.57) HTR6DRD2HTR1AHTR3AKDM4E
SCHEMBL6741188 0.74 QDPR (0.45) HTR7
SCHEMBL28740894 0.74 HTR6 (0.43) HTR6KMT2AMEN1
SCHEMBL14852133 0.72 ALDH1A1 (0.61) HTR6DRD2HTR1AHTR3AKDM4E
SCHEMBL14852506 0.72 CDC7 (0.50) HTR6DRD2HTR1AHTR3AHRH4
SCHEMBL6742251 0.71 HTR6 (0.52) HTR6DRD2HTR1AHTR3AHRH4
SCHEMBL15687254 0.70 F2 (0.36) HTR7
SCHEMBL20362400 0.70 HTR6 (0.51) HTR6DRD2HTR1AHTR3AKDM4E
SCHEMBL15687555 0.70 CYP2A6 (0.50) KDM4EALDH1A1

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 7 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
EP-1196380-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2002-04-17 EP claimed
WO-2001005758-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS ALLELIX CORP. (CA) 2001-01-25 WO 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 237/4885DRD2 437/4885HTR1A 170/4885

“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.