SCHEMBL495544

SCHEMBL495544

N[C@H](Cc1cc(F)ccc1F)[C@@H](O)CN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.48
DPP8 Q6V1X1 13/20 0.48
DPP7 Q9UHL4 12/20 0.48
DPP9 Q86TI2 11/20 0.48
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL4754668 1.00 DPP4 (0.48) DPP4DPP8DPP7DPP9KDM4E
SCHEMBL4754678 1.00 DPP4 (0.48) DPP4DPP8DPP7DPP9KDM4E
Hydrochloric Acid SCHEMBL496687 0.99 DPP4 (0.47) DPP4DPP8DPP7DPP9KDM4E
SCHEMBL496566 0.81 PRMT5 (0.51) KDM4E
Hydrochloric Acid SCHEMBL496305 0.80 PRMT5 (0.50) KDM4ESMN1; SMN2
SCHEMBL495892 0.72 DPP4 (0.45) DPP4DPP8DPP7DPP9
SCHEMBL495890 0.72 DPP4 (0.45) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL496004 0.72 DPP4 (0.44) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL496003 0.72 DPP4 (0.44) DPP4DPP8DPP7DPP9
SCHEMBL6796135 0.71 KDM4E (0.71) DPP4DPP8DPP7DPP9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
WO-2007015805-A1 1-AMINO LINKED COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 DPP4 1/4885DPP8 9/4885DPP7 6/4885

“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.