SCHEMBL5342149

SCHEMBL5342149

Cc1ncc2c(OCCN3CCC(Cc4cccc5c4OCC(=O)N5C)CC3)cccc2n1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.59
HTR1D P28221 20/20 0.59
HTR1B P28222 20/20 0.59
SLC6A4 P31645 4/20 0.49
KCNH2 Q12809 3/20 0.49
ADRB1 P08588 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL5342124 0.89 HTR1A (0.74) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5345621 0.85 HTR1A (0.62) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL6831989 0.83 HTR1A (0.66) HTR1AHTR1DHTR1BSLC6A4ADRB1
SCHEMBL5346513 0.80 HTR1A (0.63) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5349675 0.80 HTR1A (0.62) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL6829012 0.76 HTR1A (0.82) HTR1AHTR1DHTR1BSLC6A4ADRB1
SCHEMBL14564986 0.75 HTR1A (0.82) HTR1AHTR1DHTR1BSLC6A4ADRB1
SCHEMBL14565038 0.75 HTR1A (1.00) HTR1AHTR1DHTR1BSLC6A4ADRB1
SCHEMBL5341771 0.74 HTR1D (0.76) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5369281 0.73 HTR1A (0.53) HTR1AHTR1DHTR1BSLC6A4ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214674-B2 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2007-05-08 US claimed
US-20050153974-A1 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2005-07-14 US claimed
EP-1480974-A1 HETEROCYCLYLMETHYLPIPERIDINES AND -PIPERAZINES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP claimed
WO-2003068771-A1 HETEROCYCLYMETHYLPIPERIDINES AND -PIPERAZINES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO claimed
US-7214674-B2 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
US-20050153974-A1 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
EP-1480974-A1 HETEROCYCLYLMETHYLPIPERIDINES AND -PIPERAZINES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068771-A1 HETEROCYCLYMETHYLPIPERIDINES AND -PIPERAZINES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS 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-20050153974-A1 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors HTR1A, HTR1D, HTR2C HTR1A 1/4885HTR1D 2/4885HTR1B 11/4885

“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.