SCHEMBL5352188

SCHEMBL5352188

O=C1COc2c(CC3CCN(C(=O)O)CC3)cccc2N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.43
▸ HTR1D P28221 3/20 0.43
▸ HTR1B P28222 3/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.43
▸ GRIN1 Q05586 3/20 0.41
▸ GRIN2D O15399 2/20 0.41
▸ GRIN3B O60391 2/20 0.41
▸ GRIN2A Q12879 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ GRIN2C Q14957 2/20 0.41
▸ GRIN3A Q8TCU5 2/20 0.41
▸ TRPV1 Q8NER1 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ SCN1A P35498 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ GYS1 P13807 1/20 0.39

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
SCHEMBL5348212 0.84 KDM4E (0.44) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5344493 0.82 SMYD3 (0.45) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5342075 0.77 HTR1A (0.46) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4091137 0.72 PARP1 (0.49) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5341771 0.72 HTR1D (0.76) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5345621 0.71 HTR1A (0.62) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL30541687 0.70 MGLL (0.58) —
SCHEMBL21061747 0.70 MGLL (0.54) HTR1AHTR1DHTR1BTRPV1
SCHEMBL21062159 0.70 MGLL (0.58) —
SCHEMBL30541691 0.70 MGLL (0.54) HTR1AHTR1DHTR1BTRPV1

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
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.

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