SCHEMBL6124708

SCHEMBL6124708

CCC1(CN)CCC(OC)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.46
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
APP P05067 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL6127933 0.82 DPP4 (0.45) DPP4SLC6A4SLC6A3
SCHEMBL23766374 0.76
SCHEMBL11643831 0.74 NCF1 (0.38)
SCHEMBL26598817 0.74 SLC6A4 (0.35) SLC6A4SLC6A3
SCHEMBL20959583 0.74 DPP4 (0.49) DPP4SLC6A4SLC6A3
SCHEMBL419710 0.74
SCHEMBL21387094 0.72
SCHEMBL8353962 0.71 DPP4 (0.38) DPP4SLC6A4SLC6A3
SCHEMBL12462580 0.71 DPP4 (0.38) DPP4SLC6A4SLC6A3
SCHEMBL8353804 0.71 DPP4 (0.39) DPP4SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US 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-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 DPP4 701/4885SLC6A4 4547/4885SLC6A3 4521/4885

“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.