SCHEMBL238126

SCHEMBL238126

Cc1cccc(N2CCC(CCN3C(=O)COC3=O)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
ACHE P22303 1/20 0.41
KCNH2 Q12809 5/20 0.41
HTR1A P08908 5/20 0.41
HTR1D P28221 4/20 0.41
HTR1B P28222 4/20 0.41
SLC6A4 P31645 3/20 0.41
PDE10A Q9Y233 1/20 0.40
RECQL P46063 1/20 0.39
LCAT P04180 1/20 0.38
NMT1 P30419 2/20 0.38
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
CTSS P25774 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL239296 0.88 ACHE (0.39) ACHEKCNH2HTR1AHTR1DHTR1B
SCHEMBL240217 0.84 ACHE (0.37) ACHEKCNH2HTR1AHTR1DHTR1B
SCHEMBL239514 0.81 HRH3 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL238635 0.79 HTR1A (0.48) HTR3AACHEKCNH2HTR1AHTR1D
SCHEMBL237973 0.78 HTR3A (0.46) HTR3AACHE
SCHEMBL239771 0.76 KCNH2 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL236571 0.76 HRH3 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL239880 0.74 PDE10A (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL237974 0.73 CYP11B1 (0.45) HTR1AHTR2A
Hydrochloric Acid SCHEMBL4418429 0.73 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2012-01-05 US disclosed
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP disclosed
US-8034818-B2 Therapeutic uses of derivatives of piperidinyl- and piperazinyl-alkyl carbamates SANOFI-AVENTIS (FR) 2011-10-11 US disclosed
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2007-06-21 US disclosed
US-7214798-B2 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-05-08 US disclosed
US-20060089344-A1 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2006-04-27 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 (3 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-20060089344-A1 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics CLCN2, CNR2, RCC2 HTR3E 3383/4885HTR3B 3252/4885HTR3A 2346/4885
US-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES CLCN2, CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTR3E 3106/4885HTR3B 2859/4885HTR3A 2303/4885
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, H1-2 HTR3E 2071/4885HTR3B 1841/4885HTR3A 1876/4885

“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.