SCHEMBL5713852

SCHEMBL5713852

[C]1CCCc2ccc(-c3ccccn3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 4/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 2/20 0.37
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
POLB P06746 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
HTR1A P08908 1/20 0.36

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
SCHEMBL5714211 0.83 AVPR2 (0.35) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL5713855 0.80 CCR1 (0.43) KDM4ECCR1CCR5CCR8POLB
SCHEMBL23351094 0.78 CYP11B1 (0.47) PDK2CNR2KDM4ELMNACYP1A2
SCHEMBL4024459 0.78 CYP11B1 (0.51) PDK2CNR2KDM4ELMNACYP1A2
SCHEMBL4025451 0.76 CYP11B1 (0.50) PDK2CNR2KDM4ELMNACYP1A2
SCHEMBL5713597 0.75 CYP11B2 (0.39) LMNACYP19A1MAPT
SCHEMBL5714236 0.73 CYP11B1 (0.63) CYP1A2CYP2A6CYP19A1CYP2C9CYP2C19
SCHEMBL5714803 0.73 PIK3CA (0.39) KDM4ELMNACYP1A2POLBPIK3CA
SCHEMBL5714313 0.72 SLC6A2 (0.40) KDM4ETP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL5713849 0.72 PDK2 (0.42) PDK2CNR2KDM4ELMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP claimed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 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-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 PDK2 4363/4885CNR2 4810/4885KDM4E 4405/4885

“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.