SCHEMBL239857

SCHEMBL239857

CS(=O)(=O)OCCC1(F)CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
CYP1A2 P05177 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
THPO P40225 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
HTR1A P08908 3/20 0.43
USP2 O75604 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR2C P28335 1/20 0.43
MAPK1 P28482 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL241135 0.78 SORD (0.53) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL239069 0.78 HRH3 (0.44) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL1727897 0.74 KDM4E (0.47) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL26646352 0.73 PDE10A (0.63) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL1729341 0.72 KDM4E (0.43) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL236602 0.71 HTR1A (0.46) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL241458 0.71 DRD3 (0.41) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL10202392 0.70 DRD3 (0.42) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL5779091 0.70 KDM4E (0.50) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL31105866 0.69 PDE10A (0.58) HRH3KDM4EALDH1A1HTR3EHTR3B

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 HRH3 33/4885KDM4E 4211/4885ALDH1A1 742/4885
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 HRH3 33/4885KDM4E 4402/4885ALDH1A1 528/4885
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 HRH3 13/4885KDM4E 4112/4885ALDH1A1 916/4885

“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.