SCHEMBL16508652

SCHEMBL16508652

CC(=O)[C@@H]1CCCN1C(=O)c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.55
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.48
PKM P14618 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL5310085 0.87 CHRNA7 (0.56) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5306566 0.86 SMN1; SMN2 (0.62) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL14664078 0.85 ALDH1A1 (0.53) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL14828729 0.85 CHRNA7 (0.51) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL15347856 0.83 CHRNA7 (0.55) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL13753541 0.82 NPSR1 (0.61) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5311981 0.81 CHRNA7 (0.50) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5311984 0.81 SPHK1 (0.52) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL10272555 0.78 NPSR1 (0.67) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL29106503 0.77 L3MBTL1 (0.52) ALDH1A1SMN1; SMN2LMNAMAPK1NPSR1

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-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 CHRNA7 4832/4885ALDH1A1 3778/4885SMN1; SMN2 4709/4885

“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.