SCHEMBL5510653

SCHEMBL5510653

CON=C1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GPR119 Q8TDV5 4/20 0.42
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
BACE1 P56817 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
STS P08842 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL3314000 0.86 USP2 (0.49) HPGDALDH1A1GPR119RECQLEPHX1
SCHEMBL3410150 0.82 MAPT (0.49) HPGDALDH1A1GPR119RECQLEPHX1
SCHEMBL6615022 0.81 HPGD (0.48) HPGDALDH1A1GPR119RECQLEPHX1
SCHEMBL9836089 0.80 ESR2 (0.48) HPGDALDH1A1GPR119MAPTKDM4E
SCHEMBL9836086 0.80 ESR2 (0.48) HPGDALDH1A1GPR119MAPTKDM4E
SCHEMBL994288 0.78 HPGD (0.58) HPGDALDH1A1GPR119RECQLEPHX1
SCHEMBL17128329 0.78 HPGD (0.62) HPGDGPR119RECQLEPHX1MAPT
SCHEMBL5514832 0.77 HPGD (0.65) HPGDGPR119RECQLEPHX1USP2
SCHEMBL3160275 0.77 HPGD (0.65) HPGDGPR119RECQLEPHX1USP2
SCHEMBL4185350 0.77 USP2 (0.43) HPGDALDH1A1GPR119MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-7208602-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-04-24 US disclosed
EP-1663975-A1 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-06-07 EP disclosed
US-20060100427-A1 Novel Gamma Secretase inhibitors SCHERING CORPORATION AND PHARMACOPEIA, INC. 2006-05-11 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
WO-2005028440-A1 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2005-03-31 WO disclosed
EP-1472223-A1 GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2004-11-03 EP disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 US disclosed
US-20040048848-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2004-03-11 US disclosed
WO-2003066592-A1 GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2003-08-14 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 (4 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-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP HPGD 3814/4885ALDH1A1 4012/4885GPR119 720/4885
US-20040048848-A1 Novel gamma secretase inhibitors BACE1, BACE2, PSEN1 HPGD 3246/4885ALDH1A1 1953/4885GPR119 356/4885
US-20060100427-A1 Novel Gamma Secretase inhibitors BACE1, BACE2, PSEN1 HPGD 2996/4885ALDH1A1 1610/4885GPR119 243/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP HPGD 3587/4885ALDH1A1 2742/4885GPR119 366/4885

“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.