SCHEMBL344553

SCHEMBL344553

CCN(CCC1CCN(c2ccc(Br)cn2)CC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.47
PDE10A Q9Y233 1/20 0.43
AKR1C3 P42330 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
DGAT1 O75907 1/20 0.40
CKS1B P61024 5/20 0.39
SKP1 P63208 5/20 0.39
SKP2 Q13309 5/20 0.39
PANK3 Q9H999 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
DEGS1 O15121 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL1730190 0.87 CHRM4 (0.44) CHRM4PDE10AAKR1C3PPARGPPARD
SCHEMBL346152 0.84 CKS1B (0.39) CHRM4DGAT1CKS1BSKP1SKP2
SCHEMBL345491 0.83 ENPP2 (0.43) CHRM4DGAT1CKS1BSKP1SKP2
SCHEMBL1727687 0.78 PDE10A (0.43) CHRM4PDE10AAKR1C3PPARGPPARD
SCHEMBL345057 0.77 CHRM4 (0.57) CHRM4PDE10AAKR1C3PPARGPPARD
SCHEMBL344799 0.77 PDE10A (0.55) CHRM4PDE10AAKR1C3PPARGPPARD
SCHEMBL26077359 0.76 PDE10A (0.51) CHRM4PDE10AAKR1C3PPARGPPARD
SCHEMBL29207896 0.75 PPARG (0.45) CHRM4PDE10AAKR1C3PPARGPPARD
SCHEMBL15205454 0.75 CHRM4 (0.50) CHRM4PDE10AAKR1C3PPARGPPARD
SCHEMBL1727978 0.74 KDM1A (0.43) PPARGPPARADGAT1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A CHRM4 1210/4885PDE10A 1799/4885AKR1C3 731/4885

“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.