SCHEMBL408425

SCHEMBL408425

O=C(O)[C@H]1CC[C@H](c2nnc(C3CCOCC3)o2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.39
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
EPHX2 P34913 3/20 0.35
ADCY1 Q08828 2/20 0.35
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31

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
SCHEMBL440024 1.00 TNKS (0.39) TNKSTSHRNPC1RAB9AAKR1C3
SCHEMBL439761 0.91 NPC1 (0.42) TSHRNPC1RAB9AAKR1C3AKR1C1
SCHEMBL408394 0.91 NPC1 (0.42) TSHRNPC1RAB9AAKR1C3AKR1C1
SCHEMBL437764 0.81 PKM (0.38) TNKSEPHX2ADCY1MEN1MAPT
SCHEMBL408402 0.81 PKM (0.38) TNKSEPHX2ADCY1MEN1MAPT
SCHEMBL408297 0.79 CCR5 (0.40) NPC1RAB9AAKR1C3AKR1C1EPHX2
SCHEMBL441460 0.79 CCR5 (0.40) NPC1RAB9AAKR1C3AKR1C1EPHX2
SCHEMBL29988313 0.79 PDK2 (0.34) NPC1RAB9AAKR1C3AKR1C1EPHX2
SCHEMBL29988103 0.79 EPHX2 (0.35) NPC1RAB9AAKR1C3AKR1C1EPHX2
SCHEMBL408292 0.78 EPHX2 (0.37) NPC1RAB9AAKR1C3AKR1C1EPHX2

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-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

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 TNKS 4718/4885TSHR 2375/4885NPC1 142/4885

“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.