SCHEMBL16225632

SCHEMBL16225632

CCCCCC1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.46
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL13597040 0.96 DPP4 (0.47) ACHEDPP4DPP8DPP7SLC6A3
SCHEMBL6778994 0.86 ACHE (0.46) ACHEDPP8DPP7SLC6A3
SCHEMBL6773131 0.86 ACHE (0.46) ACHESLC6A3
SCHEMBL13597027 0.85 DPP4 (0.58) DPP4SLC6A3
SCHEMBL13597034 0.84 DPP4 (0.56) DPP4SLC6A3
SCHEMBL13597035 0.84 DPP4 (0.56) DPP4SLC6A3
SCHEMBL13597030 0.84 DPP4 (0.56) DPP4SLC6A3
SCHEMBL16226399 0.83 ACHE (0.51) ACHEDPP8DPP7SLC6A3
SCHEMBL13597041 0.81 CYP2D6 (0.47) DPP4SLC6A3
SCHEMBL13597015 0.81 DPP4 (0.63) DPP4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 ACHE 1285/4885DPP4 4440/4885DPP8 3389/4885

“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.