SCHEMBL6284531

SCHEMBL6284531

CC(C)(C)OC(=O)N1CCC(NCC(O)c2ccc(OC(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDE4D Q08499 1/20 0.45
BCHE P06276 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
EPHX2 P34913 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GPR119 Q8TDV5 4/20 0.41
EPHX1 P07099 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL6498471 0.85 KDM4E (0.55) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL22467690 0.85 KDM4E (0.55) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL21074855 0.85 KDM4E (0.55) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL23410111 0.79 GPR119 (0.61) ALDH1A1PDE4DGPR119PDE4B
SCHEMBL4597819 0.78 GPR119 (0.53) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4597915 0.78 STS (0.52) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL12058717 0.78 PTPN2 (0.72) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL16232112 0.78 DPP4 (0.49) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL6281242 0.77 GPR119 (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL6283632 0.77 ALDH1A1 (0.46) ALDH1A1NPC1MAPTMAPK1HTT

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-6974870-B2 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHAMACEUTICALS, INC. (US) 2005-12-13 US disclosed
US-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-16 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-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, IKBKB, CHUK ALDH1A1 2562/4885NPC1 4682/4885MAPT 3942/4885

“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.