SCHEMBL4055019

SCHEMBL4055019

CC(C)(C)OC(=O)N1CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.64
MAP4K4 O95819 1/20 0.58
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CKS1B P61024 2/20 0.58
SKP1 P63208 2/20 0.58
SKP2 Q13309 2/20 0.58
BACE1 P56817 1/20 0.57
HRH3 Q9Y5N1 3/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
CYP1A2 P05177 1/20 0.56
THPO P40225 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
HRH4 Q9H3N8 1/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54

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
SCHEMBL13279178 0.84 MAP4K4 (0.58) PDE10AMAP4K4ALDH1A1CKS1BSKP1
SCHEMBL29461507 0.84 PDE10A (0.54) PDE10AMAP4K4KDM4EALDH1A1SMN1; SMN2
SCHEMBL461584 0.84 CKS1B (0.62) MAP4K4ALDH1A1CKS1BSKP1SKP2
SCHEMBL4063357 0.84 CKS1B (0.69) PDE10AMAP4K4KDM4EALDH1A1SMN1; SMN2
SCHEMBL29455913 0.83 MAP4K4 (0.57) PDE10AMAP4K4ALDH1A1CKS1BSKP1
SCHEMBL4065311 0.83 HTR3A (0.60) PDE10AMAP4K4SMN1; SMN2CKS1BSKP1
SCHEMBL15681568 0.82 MAP4K4 (0.56) PDE10AMAP4K4KDM4EALDH1A1SMN1; SMN2
SCHEMBL12701294 0.82 MAP4K4 (0.53) PDE10AMAP4K4CKS1BSKP1SKP2
SCHEMBL30993610 0.82 MAP4K4 (0.53) PDE10AMAP4K4CKS1BSKP1SKP2
SCHEMBL12701300 0.82 MAP4K4 (0.53) PDE10AMAP4K4CKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-1828154-B1 PHENYL-PIPERAZIN METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-29 EP disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
EP-1828154-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 US disclosed
WO-2006061135-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 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 (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-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups GRIK5, GRM5, GRIN2C PDE10A 885/4885MAP4K4 3166/4885KDM4E 2602/4885
US-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG PDE10A 2133/4885MAP4K4 2805/4885KDM4E 2391/4885
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HTR5A, NPY5R, GRM5 PDE10A 1269/4885MAP4K4 2567/4885KDM4E 1456/4885

“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.