SCHEMBL7601801

SCHEMBL7601801

CC(=O)N(C)C1CCC(C)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.33
ACHE P22303 1/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
EPHX1 P07099 1/20 0.32
BCL2A1 Q16548 1/20 0.30
TLR4 O00206 1/20 0.30

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
SCHEMBL24511542 0.89 ATM (0.34) DPP4ACHE
SCHEMBL14492205 0.86 DPP4 (0.38) DPP4DPP8DPP9DPP7EPHX1
SCHEMBL5949432 0.86 DPP4 (0.38) DPP4DPP8DPP9DPP7EPHX1
SCHEMBL13744118 0.86 DPP4 (0.38) DPP4DPP8DPP9DPP7EPHX1
SCHEMBL26199470 0.84 DPP4 (0.33) DPP4ACHEDPP8DPP9DPP7
SCHEMBL22539870 0.84 DPP4 (0.33) DPP4ACHEDPP8DPP9DPP7
SCHEMBL5506106 0.81
SCHEMBL11982801 0.80 DPP4 (0.34) DPP4ACHEDPP8DPP9DPP7
SCHEMBL27740331 0.80 EPHX1 (0.33) EPHX1TLR4
SCHEMBL24942186 0.78 ATM (0.42) DPP4DPP8EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8242280-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 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 (2 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 DPP4 1330/4885ACHE 1473/4885DPP8 1470/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 DPP4 1070/4885ACHE 2217/4885DPP8 2069/4885

“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.