SCHEMBL441266

SCHEMBL441266

O=C(O)C1CCC(c2nnc(CCl)o2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 2/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
ALDH1A1 P00352 3/20 0.33
EPHX2 P34913 2/20 0.33
ADCY1 Q08828 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
MEN1 O00255 3/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32

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
SCHEMBL408745 1.00 HTT (0.37) HTTKMT2AMAPTPOLBL3MBTL1
SCHEMBL12005507 0.85 ALDH1A1 (0.37) HTTKMT2AMAPTPOLBL3MBTL1
SCHEMBL439761 0.83 NPC1 (0.42) KMT2AMAPTNPC1RAB9ALMNA
SCHEMBL408394 0.83 NPC1 (0.42) KMT2AMAPTNPC1RAB9ALMNA
SCHEMBL408244 0.82 PKM (0.46) HTTKMT2AMAPTPOLBL3MBTL1
SCHEMBL443006 0.82 PKM (0.46) HTTKMT2AMAPTPOLBL3MBTL1
SCHEMBL408399 0.81 CCR5 (0.46) HTTKMT2AMAPTPOLBL3MBTL1
SCHEMBL438307 0.81 CCR5 (0.46) HTTKMT2AMAPTPOLBL3MBTL1
SCHEMBL437505 0.81 PKM (0.39) HTTKMT2AMAPTPOLBL3MBTL1
SCHEMBL408238 0.81 PKM (0.39) HTTKMT2AMAPTPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT HTT 567/4885KMT2A 667/4885MAPT 1464/4885

“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.