SCHEMBL5349149

SCHEMBL5349149

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HTR1A P08908 5/20 0.42
▸ HTR1D P28221 5/20 0.42
▸ HTR1B P28222 5/20 0.42
▸ SLC6A4 P31645 5/20 0.42
▸ KCNH2 Q12809 5/20 0.42
▸ GPR119 Q8TDV5 5/20 0.40
▸ TGFBR1 P36897 1/20 0.39
▸ FAAH O00519 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
SCHEMBL5342075 0.86 HTR1A (0.46) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL5348212 0.81 KDM4E (0.44) KDM4EPKMHTR1AHTR1DHTR1B
SCHEMBL5346023 0.77 NMT1 (0.48) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL16112711 0.74 KDM4E (0.58) KDM4EPKMGPR119TGFBR1
SCHEMBL1405373 0.74 KDM4E (0.57) KDM4EPKMGPR119TGFBR1
SCHEMBL3172041 0.73 MAPT (0.57) KDM4EPKMGPR119
SCHEMBL16825244 0.73 GPR119 (0.60) KDM4EPKMGPR119
SCHEMBL23119230 0.72 KDM4E (0.55) KDM4EPKMGPR119TGFBR1
SCHEMBL3881471 0.72 KDM4E (0.58) KDM4EPKMGPR119TGFBR1
SCHEMBL4572383 0.72 CTSD (0.44) UTS2RKDM4EGPR119

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 2 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

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 UTS2R 846/4885KDM4E 1328/4885PKM 1738/4885

“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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