SCHEMBL408780

SCHEMBL408780

CC(C)c1nnc([C@H]2CC[C@H](C(=O)O)CC2)o1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.35
EPHX2 P34913 4/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ADCY1 Q08828 3/20 0.33
ATM Q13315 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 1/20 0.32
CCR5 P51681 1/20 0.32
HTR4 Q13639 2/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL407984 1.00 ENPP2 (0.35) ENPP2EPHX2NPC1RAB9AADCY1
SCHEMBL12940206 0.85 ALDH1A1 (0.34) ENPP2EPHX2NPC1RAB9AADCY1
SCHEMBL407345 0.84 PKM (0.37) ENPP2EPHX2ADCY1KMT2AMEN1
SCHEMBL441068 0.84 PKM (0.37) ENPP2EPHX2ADCY1KMT2AMEN1
SCHEMBL408394 0.83 NPC1 (0.42) EPHX2NPC1RAB9AADCY1AKR1C3
SCHEMBL439761 0.83 NPC1 (0.42) EPHX2NPC1RAB9AADCY1AKR1C3
SCHEMBL17911333 0.81 EPHX2 (0.35) ENPP2EPHX2LMNASMN1; SMN2
SCHEMBL441460 0.79 CCR5 (0.40) EPHX2NPC1RAB9AADCY1AKR1C3
SCHEMBL408297 0.79 CCR5 (0.40) EPHX2NPC1RAB9AADCY1AKR1C3
SCHEMBL437515 0.79 GRIA1 (0.34) ENPP2EPHX2ATM

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 ENPP2 709/4885EPHX2 1660/4885NPC1 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.