SCHEMBL5208027

SCHEMBL5208027

CCCCNC(=O)c1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.46
HPGDS O60760 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
CHRNA10 Q9GZZ6 1/20 0.46
CHRNA9 Q9UGM1 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
SMYD3 Q9H7B4 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
SCHEMBL383106 0.81 USP2 (0.56) HPGDSCKS1BSKP1SKP2KMT2A
SCHEMBL3769327 0.81 GPR119 (0.62) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL381643 0.81 CKS1B (0.48) CKS1BSKP1SKP2SMN1; SMN2MEN1
SCHEMBL5204853 0.80 GPR119 (0.63) CHRNA10CHRNA9CKS1BSKP1SKP2
SCHEMBL5203538 0.80 ALDH1A1 (0.51) CKS1BSKP1SKP2NAMPTGPR119
SCHEMBL5207561 0.80 CKS1B (0.50) CKS1BSKP1SKP2NAMPTGPR119
SCHEMBL6301416 0.79 SMYD3 (0.54) HDAC3HDAC8CHRNA10CHRNA9SMN1; SMN2
SCHEMBL3130708 0.78 CKS1B (0.52) CKS1BSKP1SKP2NAMPTGPR119
SCHEMBL32665409 0.78 ME3 (0.54) CKS1BSKP1SKP2NAMPTGPR119
Water SCHEMBL5211069 0.78 SMYD3 (0.53) HDAC3HDAC8CHRNA10CHRNA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242083-B1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2007-03-14 EP disclosed
US-6867220-B2 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-15 US disclosed
US-6858629-B1 Heteroaryloxy propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2005-02-22 US disclosed
EP-1214313-B1 HETEROARYLOXY PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-06-30 EP disclosed
US-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them SANOFI-AVENTIS (FR) 2003-02-27 US disclosed
EP-1214313-A2 HETEROARYLOXY PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-06-19 EP disclosed
WO-2001017989-A2 HETEROARYLOXYPROPANOLAMINES AS BETA3-ADRENERGIC RECEPTOR AGONISTS SANOFI-SYNTHELABO (FR) 2001-03-15 WO 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-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them CNR1, CORO1C, CBR1 PDE5A 1409/4885HPGDS 3141/4885HDAC3 144/4885

“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.