SCHEMBL5364720

SCHEMBL5364720

CN1CCC(C2CCN(C(=O)CNC(C)(C)C)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.50
GNAO1 P09471 6/20 0.50
GNAI1 P63096 6/20 0.50
DPP4 P27487 6/20 0.45
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM1A O60341 2/20 0.36
MAOB P27338 2/20 0.36
RIPK1 Q13546 1/20 0.35
NPC1 O15118 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
SCHEMBL14079941 0.84 DPP4 (0.44) DPP4DPP8DPP9ALDH1A1KDM1A
SCHEMBL6601840 0.82 GNAI3 (0.41) GNAI3GNAO1GNAI1DPP4ALDH1A1
SCHEMBL16591613 0.80 DPP4 (0.47) DPP4DPP8DPP9ALDH1A1MEN1
SCHEMBL25958552 0.79 DPP4 (0.46) GNAI3GNAO1GNAI1DPP4DPP8
SCHEMBL23691707 0.77 DPP4 (0.45) DPP4DPP8DPP9ALDH1A1MEN1
SCHEMBL20381496 0.77 DPP4 (0.45) DPP4DPP8DPP9ALDH1A1MEN1
SCHEMBL20468805 0.77 DPP4 (0.49) DPP4DPP8DPP9ALDH1A1MEN1
SCHEMBL5479056 0.77 DPP4 (0.49) DPP4DPP8DPP9ALDH1A1MEN1
SCHEMBL25037126 0.77 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL25719587 0.76 DPP4 (0.44) DPP4DPP8DPP9ALDH1A1MEN1

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-7265121-B2 Chemical compounds ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-20050026928-A1 Chemical compounds ELI LILLY AND COMPANY 2005-02-03 US disclosed
EP-1409479-A2 1-GLYCINYL-4-(1-METHYLPIPERIDIN-4-YL)PIPERAZINES AND -PIPERIDINES AS FACTOR XA ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2003010160-A2 1-GLYCINYL-4 (METHYLPIPERIDIN-4-YL) PIPERAZINES AND -PIPERRIDINES AS FACTOR XA ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-02-06 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-20050026928-A1 Chemical compounds F2, F12, F11 GNAI3 2061/4885GNAO1 1436/4885GNAI1 1865/4885

“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.