SCHEMBL238256

SCHEMBL238256

Cc1cccc(N2CCC(CCOS(C)(=O)=O)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
PDE10A Q9Y233 1/20 0.43
CTSS P25774 2/20 0.41
KCNH2 Q12809 2/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
TGM3 Q08188 1/20 0.39
SMO Q99835 2/20 0.39
LCAT P04180 1/20 0.38
ACACB O00763 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
RECQL P46063 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL239984 0.87 GRIN2D (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL237705 0.79 HTR1A (0.44) HTR3ASMOACACB
SCHEMBL239367 0.78 HTR3A (0.49) HTR3ASMODRD4
SCHEMBL239880 0.78 PDE10A (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL4418429 0.77 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21855555 0.77 ALDH1A1 (0.52)
SCHEMBL14587773 0.76 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13806458 0.76 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL239117 0.75 HRH3 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL38652658 0.75 SMO (0.37) 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 5 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
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.