SCHEMBL5209710

SCHEMBL5209710

N#Cc1ccc2c(OCCBr)cccc2n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 19/20 0.48
CYBB P04839 9/20 0.47
NOX5 Q96PH1 1/20 0.47
GRM5 P41594 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5206891 0.78 HTR1D (0.56) NCF1CYBBNOX5
SCHEMBL5211096 0.74 NCF1 (0.48) NCF1CYBBNOX5
SCHEMBL5211140 0.72 HTR1A (0.45) NCF1CYBBNOX5
SCHEMBL2191686 0.72 GRM5 (0.58) GRM5KCNH2
SCHEMBL31556373 0.72 GRM5 (0.58) GRM5KCNH2
SCHEMBL23412330 0.70 NCF1 (0.86) NCF1CYBBNOX5
SCHEMBL5214060 0.70 NCF1 (0.42) NCF1CYBBNOX5
SCHEMBL22559518 0.69 CTSS (0.40) GRM5KCNH2
SCHEMBL5181894 0.68 SOS2 (0.56) GRM5KCNH2
SCHEMBL2204553 0.68 HTR1B (0.67)

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
EP-1480972-B1 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LTD (GB) 2007-04-11 EP disclosed
US-20050107410-A1 Compound possessing affinity at 5ht1-type receptors and use thereof in therapy of cns disorders GLAXO GROUP LIMITED (GB) 2005-05-19 US disclosed
EP-1480972-A2 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068760-A2 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20050107410-A1 Compound possessing affinity at 5ht1-type receptors and use thereof in therapy of cns disorders CNR1, HTR5A, HTR1A NCF1 1554/4885CYBB 1335/4885NOX5 932/4885

“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.