SCHEMBL2811402

SCHEMBL2811402

O=C(O)NC1(c2ccoc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.31
SCN9A Q15858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
SSTR4 P31391 1/20 0.31
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30

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
SCHEMBL2141501 0.77 ADORA2B (0.38)
SCHEMBL2363242 0.75 HTT (0.48) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL3857960 0.70 TPMT (0.39) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL20476086 0.70 ALDH1A1 (0.39) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL2720873 0.70 MAPK1 (0.38) ALDH1A1HTTKDM4EPOLB
SCHEMBL15258671 0.70 HDAC3 (0.47)
SCHEMBL2362049 0.69 TACR3 (0.44) ALDH1A1HTTSCN9AKDM4EHPGD
SCHEMBL3560390 0.68 SSTR4 (0.56) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL2712662 0.68 SSTR4 (0.53) ALDH1A1HTTSCN9AKDM4EHPGD
SCHEMBL19029371 0.67 HDAC6 (0.40) ALDH1A1KDM4EHPGDHSD17B10

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-20100249094-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 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-20100249094-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 HCAR2 3698/4885SLC1A3 3537/4885SLC1A2 3887/4885

“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.