SCHEMBL239313

SCHEMBL239313

CNC(=O)CN(CC1CCN(c2nccc3ccccc23)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.46
HCAR2 Q8TDS4 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
HTR2C P28335 1/20 0.43
SORD Q00796 2/20 0.42
ACHE P22303 1/20 0.40
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
OPRL1 P41146 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
ACACB O00763 1/20 0.38
PHGDH O43175 1/20 0.38
TRPM8 Q7Z2W7 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
Hydrochloric Acid SCHEMBL239760 0.99 HRH4 (0.45) HRH4HCAR2MALT1HTR2CSORD
SCHEMBL1727927 0.90 HRH4 (0.44) HRH4HCAR2MALT1HTR2CSORD
SCHEMBL1729150 0.87 HRH4 (0.48) HRH4HCAR2MALT1HTR2CSORD
SCHEMBL1728957 0.85 ENPP1 (0.41) MALT1DRD2DRD4
SCHEMBL1729857 0.78 GPR6 (0.39) ACHEDPP4DPP7
SCHEMBL1729450 0.78 CYP1A2 (0.39) MALT1DRD2
SCHEMBL2982820 0.77 HTR1A (0.46) ACHEOPRL1DRD4
SCHEMBL345705 0.77 SORD (0.41) HRH4HCAR2MALT1HTR2CSORD
SCHEMBL1729384 0.77 DPP4 (0.44) HRH4HCAR2MALT1HTR2CSORD
SCHEMBL1729234 0.76 ENPP1 (0.42) MALT1HTR2CACHEDRD2DRD4

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 HRH4 44/4885HCAR2 212/4885MALT1 1127/4885
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 HRH4 72/4885HCAR2 206/4885MALT1 1283/4885
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 HRH4 24/4885HCAR2 129/4885MALT1 1224/4885

“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.