SCHEMBL17345951

SCHEMBL17345951

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.81
▸ GNAO1 P09471 1/20 0.81
▸ GNAI1 P63096 1/20 0.81
▸ DPP7 Q9UHL4 4/20 0.68
▸ RRM1 P23921 1/20 0.66
▸ SIRT6 Q8N6T7 1/20 0.53
▸ SIRT1 Q96EB6 1/20 0.53
▸ DPP8 Q6V1X1 2/20 0.51
▸ DPP9 Q86TI2 2/20 0.51
▸ TLR2 O60603 3/20 0.49
▸ NOD1 Q9Y239 1/20 0.49
▸ CHRNB2 P17787 3/20 0.46
▸ CHRNB4 P30926 3/20 0.46
▸ CHRNA3 P32297 3/20 0.46
▸ CHRNA4 P43681 3/20 0.46
▸ SLC15A1 P46059 1/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ GRM1 Q13255 1/20 0.46

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
SCHEMBL10033856 0.97 GNAI3 (0.76) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL12085597 0.97 GNAI3 (0.76) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL19407777 0.93 GNAI3 (0.83) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL19402067 0.93 GNAI3 (0.83) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL10033860 0.93 GNAI3 (0.83) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL12085596 0.93 GNAI3 (0.83) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL12085594 0.93 GNAI3 (0.83) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL10033861 0.93 GNAI3 (0.83) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL19407832 0.93 GNAI3 (0.83) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL14048412 0.93 DPP7 (0.73) GNAI3GNAO1GNAI1DPP7RRM1

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-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA, LLC 2015-12-17 — — 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-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES SRM, PMP22, SMS GNAI3 3495/4885GNAO1 2482/4885GNAI1 3381/4885

“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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