SCHEMBL16656252

SCHEMBL16656252

CC(=O)[C@H](N)CCCCCN

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.61
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
PAOX Q6QHF9 3/20 0.48
CPB2 Q96IY4 4/20 0.46
DPP7 Q9UHL4 7/20 0.44
DPP8 Q6V1X1 3/20 0.44
DPP9 Q86TI2 3/20 0.44
RNPEP Q9H4A4 1/20 0.43
NOS2 P35228 1/20 0.43
DPP4 P27487 1/20 0.42

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
SCHEMBL11096571 1.00 GSR (0.61) GSRGNAI3GNAO1GNAI1PAOX
SCHEMBL11102371 1.00 GSR (0.61) GSRGNAI3GNAO1GNAI1PAOX
SCHEMBL19816538 1.00 GSR (0.61) GSRGNAI3GNAO1GNAI1PAOX
SCHEMBL13456509 1.00 GSR (0.61) GSRGNAI3GNAO1GNAI1PAOX
SCHEMBL7778074 1.00 GSR (0.61) GSRGNAI3GNAO1GNAI1PAOX
SCHEMBL19816440 1.00 GSR (0.61) GSRGNAI3GNAO1GNAI1PAOX
SCHEMBL2603680 0.98 GSR (0.64) GSRGNAI3GNAO1GNAI1PAOX
SCHEMBL12277980 0.98 GSR (0.64) GSRGNAI3GNAO1GNAI1PAOX
SCHEMBL2043064 0.98 GSR (0.64) GSRGNAI3GNAO1GNAI1PAOX
Hydrochloric Acid SCHEMBL11548666 0.95 GSR (0.61) GSRGNAI3GNAO1GNAI1PAOX

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-20220016153-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-20 US disclosed
US-9012429-B2 Methods and compositions for the prevention of and treatment of infections utilizing chitosan-derivative compounds SYNEDGEN, INC. (US) 2015-04-21 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-20220016153-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO ENTPD1, NME2, NME1 GSR 2887/4885GNAI3 2512/4885GNAO1 332/4885

“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.