SCHEMBL12833333

SCHEMBL12833333

CCC(C)C(=O)[C@@H](N)CCCCN

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.53
▸ GNAI3 P08754 1/20 0.46
▸ GNAO1 P09471 1/20 0.46
▸ GNAI1 P63096 1/20 0.46
▸ DPP7 Q9UHL4 8/20 0.43
▸ DPP8 Q6V1X1 4/20 0.43
▸ DPP9 Q86TI2 4/20 0.43
▸ RNPEP Q9H4A4 1/20 0.38
▸ DPP4 P27487 2/20 0.38
▸ GABRR1 P24046 2/20 0.38
▸ CPB2 Q96IY4 1/20 0.38
▸ SLC15A1 P46059 1/20 0.37

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
SCHEMBL21103612 1.00 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL18868852 1.00 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL24449947 0.98 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL24063593 0.94 GSR (0.45) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL18868716 0.94 GSR (0.45) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL18868726 0.87 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL19891853 0.87 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL18819968 0.86 GABRR1 (0.46) GSRDPP7DPP8DPP9GABRR1
SCHEMBL20388742 0.86 GABRR1 (0.46) GSRDPP7DPP8DPP9GABRR1
SCHEMBL19891917 0.85 GNAI3 (0.51) GSRGNAI3GNAO1GNAI1DPP7

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-20180127518-A1 CHITOSAN-DERIVATIVE COMPOUNDS AND METHODS OF CONTROLLING MICROBIAL POPULATIONS UNITED STATES GOVERNMENT 2018-05-10 — — US disclosed
EP-2294930-A2 Expression of human milk proteins in transgenic plants Ventria Bioscience (US) 2011-03-16 — — EP 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-20180127518-A1 CHITOSAN-DERIVATIVE COMPOUNDS AND METHODS OF CONTROLLING MICROBIAL POPULATIONS ARG1, NRDC, CHIA GSR 1727/4885GNAI3 2109/4885GNAO1 2306/4885

“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.

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