SCHEMBL5209635

SCHEMBL5209635

Cc1ncc2c(OCCOS(C)(=O)=O)cccc2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 18/20 0.43
CYBB P04839 5/20 0.41
NOX5 Q96PH1 1/20 0.41
HTR1A P08908 2/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
ADRB2 P07550 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR1E P28566 1/20 0.34
HTR1F P30939 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR2B P41595 1/20 0.34
HTR5A P47898 1/20 0.34

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
SCHEMBL5210644 0.82 LMNA (0.33) NCF1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL5207766 0.79 NCF1 (0.45) NCF1CYBBNOX5HTR1AHTR1D
SCHEMBL5213685 0.74 EGFR (0.46)
SCHEMBL31391352 0.74 EGFR (0.46)
SCHEMBL6274367 0.70 TDP1 (0.48) DRD2
SCHEMBL11499737 0.70 MAPT (0.60)
SCHEMBL6747657 0.69 HTR1B (0.57) HTR1DHTR1BSLC6A4
SCHEMBL30189508 0.69 HTR1B (0.57) HTR1DHTR1BSLC6A4
SCHEMBL9270489 0.67 L3MBTL1 (0.43)
SCHEMBL6275145 0.67 LMNA (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244726-B2 Heterocyclic compounds possessing affinity at 5HT1 -type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2007-07-17 US disclosed
US-7214674-B2 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
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
EP-1476444-B1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2006-04-12 EP disclosed
US-20050176724-A1 Piperidine and piperazine derivatives possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2005-08-11 US disclosed
US-20050153974-A1 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2005-07-14 US 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
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2005-04-21 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
EP-1480974-A1 HETEROCYCLYLMETHYLPIPERIDINES AND -PIPERAZINES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2004099198-A1 BENZOXAZINONE DERIVATIVES HAVING AFFINITY FOR 5- HT RECEPTORS, THEIR PREPARATION AND USE GLAXO GROUP LIMITED (GB) 2004-11-18 WO disclosed
EP-1476444-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2004-11-17 EP disclosed
EP-1476161-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2004-11-17 EP disclosed
WO-2003068236-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068771-A1 HETEROCYCLYMETHYLPIPERIDINES AND -PIPERAZINES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO 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
WO-2003068772-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY 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 (4 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-20050176724-A1 Piperidine and piperazine derivatives possessing affinity at 5ht-1 type receptors HTR5A, HTR2C, HTR3C NCF1 2178/4885CYBB 732/4885NOX5 412/4885
US-20050153974-A1 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors HTR1A, HTR1D, HTR2C NCF1 1530/4885CYBB 1451/4885NOX5 1258/4885
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy HTR3C, HTR1A, HTR2C NCF1 1704/4885CYBB 942/4885NOX5 965/4885
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.