SCHEMBL5342075

SCHEMBL5342075

CN1C(=O)COc2c(CC3CCN(C(=O)O)CC3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 12/20 0.46
▸ HTR1D P28221 12/20 0.46
▸ HTR1B P28222 12/20 0.46
▸ SLC6A4 P31645 11/20 0.46
▸ KCNH2 Q12809 11/20 0.46
▸ CYP11B1 P15538 4/20 0.41
▸ CYP11B2 P19099 3/20 0.41
▸ NMT1 P30419 2/20 0.40
▸ HTT P42858 1/20 0.38

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
SCHEMBL5349149 0.86 UTS2R (0.45) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5346023 0.81 NMT1 (0.48) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5352188 0.77 HTR1A (0.43) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5342124 0.72 HTR1A (0.74) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5342149 0.72 HTR1A (0.59) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4169835 0.71 HTR1A (0.47) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL1339079 0.70 SLC6A4 (0.41) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL31133320 0.70 SLC6A4 (0.41) HTR1AHTR1DHTR1BSLC6A4KCNH2
Hydrochloric Acid SCHEMBL7288897 0.69 SLC6A4 (0.40) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL6177917 0.68 CYP2C9 (0.57) —

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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