SCHEMBL8211156

SCHEMBL8211156

CCN1CCN(C(=O)[C@H](C)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ HSD11B1 P28845 6/20 0.46
▸ PIK3CD O00329 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL3478043 1.00 CHRM1 (0.47) CHRM1KDM4EHSD11B1PIK3CDMEN1
SCHEMBL8211157 1.00 CHRM1 (0.47) CHRM1KDM4EHSD11B1PIK3CDMEN1
SCHEMBL15451848 0.93 CHRM1 (0.52) CHRM1KDM4EHSD11B1PIK3CDMEN1
SCHEMBL12141187 0.85 CHRM1 (0.49) CHRM1KDM4EHSD11B1PIK3CDMEN1
SCHEMBL13324885 0.84 MEN1 (0.41) PIK3CDMEN1KMT2AALDH1A1
SCHEMBL12767377 0.84 CYP2C19 (0.45) KDM4EPIK3CDALDH1A1CYP2C19
SCHEMBL3419604 0.82 PIK3CD (0.66) KDM4EPIK3CDALDH1A1CYP2C19
SCHEMBL12726889 0.82 PIK3CD (0.66) KDM4EPIK3CDALDH1A1CYP2C19
SCHEMBL21730496 0.82 EPHX2 (0.47) CHRM1KDM4EHSD11B1PIK3CDMEN1
SCHEMBL12726865 0.82 PIK3CD (0.66) KDM4EPIK3CDALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993563-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-31 — — US disclosed
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-05-23 — — US disclosed
EP-2518074-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2012-10-31 — — EP disclosed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 — — 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-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA CHRM1 2270/4885KDM4E 3769/4885HSD11B1 1208/4885

“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.

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