SCHEMBL13818489

SCHEMBL13818489

C[C@H]1CCN(C(=O)C(F)(F)F)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.49
DPP8 Q6V1X1 2/20 0.49
DPP7 Q9UHL4 2/20 0.49
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
EPHX2 P34913 3/20 0.40
EPHX1 P07099 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.37
PDK2 Q15119 3/20 0.36

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
SCHEMBL12910026 1.00 DPP4 (0.49) DPP4DPP8DPP7ALDH1A1NPC1
SCHEMBL8038843 0.89 ALDH1A1 (0.54) ALDH1A1NPC1LMNAEPHX2MEN1
SCHEMBL12957888 0.89 ALDH1A1 (0.54) ALDH1A1NPC1LMNAEPHX2MEN1
SCHEMBL470951 0.88 ALDH1A1 (0.48) DPP4DPP8DPP7ALDH1A1NPC1
SCHEMBL12910028 0.83 DPP4 (0.36) DPP4DPP8DPP7ALDH1A1LMNA
SCHEMBL23761297 0.82 PDK2 (0.53) PDK2
SCHEMBL26509044 0.82 PDK2 (0.53) PDK2
SCHEMBL6840322 0.82 ALDH1A1 (0.42) DPP4DPP8DPP7ALDH1A1NPC1
SCHEMBL6840446 0.82 ALDH1A1 (0.42) DPP4DPP8DPP7ALDH1A1NPC1
SCHEMBL9963882 0.82 ALDH1A1 (0.42) DPP4DPP8DPP7ALDH1A1NPC1

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-20090156831-A1 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE MERLI VALERIANO 2009-06-18 US disclosed
US-20070203221-A1 (S)-2-{1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide, selective muscarinic acetylcholine receptor antagonists, used for treating urogenital disorders such as incontinence TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-30 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-20070203221-A1 (S)-2-{1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide, selective muscarinic acetylcholine receptor antagonists, used for treating urogenital disorders such as incontinence CHRNE, CHRM3, CHRM2 DPP4 1284/4885DPP8 900/4885DPP7 495/4885
US-20090156831-A1 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE OPRL1, AVPR2, AVPR1B DPP4 904/4885DPP8 2088/4885DPP7 1648/4885

“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.