SCHEMBL6467093

SCHEMBL6467093

CC(CCc1ccc(C(N)=O)nc1)N[C@H](C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
DPP4 P27487 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MASP2 O00187 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ASPH Q12797 1/20 0.39
RIOX2 Q8IUF8 1/20 0.39
KDM8 Q8N371 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL6470743 1.00 VNN1 (0.45) VNN1OPRM1OPRD1OPRK1DPP4
SCHEMBL5133309 1.00 VNN1 (0.45) VNN1OPRM1OPRD1OPRK1DPP4
SCHEMBL6470284 0.87 OPRM1 (0.44) VNN1OPRM1OPRD1OPRK1DPP4
SCHEMBL5044954 0.85 VNN1 (0.41) VNN1OPRM1OPRD1OPRK1DPP4
SCHEMBL5131614 0.82 OPRK1 (0.53) VNN1OPRM1OPRD1OPRK1DPP4
SCHEMBL10565241 0.81 DPP4 (0.63) DPP4SIGMAR1KMT2AMEN1HTT
SCHEMBL6467095 0.81 SIGMAR1 (0.48) OPRM1OPRK1SIGMAR1KMT2AMEN1
SCHEMBL11299212 0.81 DPP4 (0.63) DPP4SIGMAR1KMT2AMEN1HTT
SCHEMBL5133310 0.81 SIGMAR1 (0.48) OPRM1OPRK1SIGMAR1KMT2AMEN1
SCHEMBL6470746 0.81 SIGMAR1 (0.48) OPRM1OPRK1SIGMAR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA VNN1 3874/4885OPRM1 1245/4885OPRD1 1219/4885

“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.