SCHEMBL5207612

SCHEMBL5207612

Cc1ccc2c(OCCN3CCNCC3)cccc2n1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.71
HTR1B P28222 19/20 0.71
HTR1A P08908 17/20 0.71
ADRB2 P07550 1/20 0.62
DRD2 P14416 1/20 0.62
HTR2C P28335 1/20 0.62
HTR1F P30939 1/20 0.62
HTR7 P34969 1/20 0.62
ADRA1B P35368 1/20 0.62
DRD3 P35462 1/20 0.62
HTR2B P41595 1/20 0.62
HTR5A P47898 1/20 0.62

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
SCHEMBL5205832 0.83 HTR1D (0.69) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5211463 0.82 HTR1D (0.71) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5341152 0.80 HTR1D (0.79) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5346893 0.79 HTR1D (1.00) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL6392867 0.79 HTR1D (0.82) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5213118 0.79 HTR1A (0.60) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL6394413 0.78 HTR1D (0.84) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL6395075 0.78 HTR1A (0.67) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL6399387 0.78 HTR1D (0.80) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5350600 0.78 HTR1D (0.83) HTR1DHTR1BHTR1AADRB2DRD2

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 16 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
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-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-2003068771-A1 HETEROCYCLYMETHYLPIPERIDINES AND -PIPERAZINES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS 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 HTR1D 9/4885HTR1B 8/4885HTR1A 4/4885
US-20050153974-A1 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors HTR1A, HTR1D, HTR2C HTR1D 2/4885HTR1B 11/4885HTR1A 1/4885
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy HTR3C, HTR1A, HTR2C HTR1D 4/4885HTR1B 11/4885HTR1A 2/4885
US-20050107410-A1 Compound possessing affinity at 5ht1-type receptors and use thereof in therapy of cns disorders CNR1, HTR5A, HTR1A HTR1D 6/4885HTR1B 16/4885HTR1A 3/4885

“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.