SCHEMBL10782

SCHEMBL10782

CCN(C(=O)C(C)C)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
DPP4 P27487 2/20 0.38
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL21938409 0.92 SHBG (0.35) PIK3CDDPP4SLC6A2SLC6A4SLC6A3
SCHEMBL6976305 0.87 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1911534 0.87 PIK3CD (0.56) PIK3CDSLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL19658845 0.84 TP53 (0.39) CYP2D6
SCHEMBL21349767 0.83 DPP4 (0.39) PIK3CDDPP4L3MBTL1
SCHEMBL21789481 0.82 DPP4 (0.41) PIK3CDDPP4SLC6A2SLC6A4SLC6A3
SCHEMBL25097342 0.81 PIK3CD (0.53) PIK3CDDPP4SLC6A2SLC6A4SLC6A3
SCHEMBL3483146 0.81 PIK3CD (0.37) PIK3CDDPP4SLC6A2SLC6A4SLC6A3
SCHEMBL25568011 0.79 CCR5 (0.48)
SCHEMBL14521636 0.77 CCR5 (0.39)

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-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP PIK3CD 1315/4885DPP4 930/4885SLC6A2 4115/4885

“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.