SCHEMBL10241523

SCHEMBL10241523

CC(C)c1cccc(C(C)C)c1OC(=O)[C@H](N)CCCCN

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
GSR P00390 1/20 0.40

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
SCHEMBL2678242 1.00 SCN5A (0.43) SCN5ASCN9ASCN10ADPP8DPP9
SCHEMBL28482983 0.81 SCN5A (0.48) SCN5ASCN9ASCN10A
SCHEMBL19236698 0.77 SCN5A (0.49) SCN5ASCN9ASCN10A
SCHEMBL20298291 0.76 KDM4E (0.40) DPP8DPP9DPP7GSR
SCHEMBL3170307 0.76 MMP2 (0.41)
SCHEMBL7899765 0.76 GSR (0.47) DPP8DPP9DPP7GSR
SCHEMBL7899768 0.76 GSR (0.47) DPP8DPP9DPP7GSR
Propofol SCHEMBL6943404 0.76 GSR (0.57) DPP8DPP9DPP7GSR
SCHEMBL7542139 0.76 MMP2 (0.41) DPP8DPP9DPP7GSR
Hydrochloric Acid SCHEMBL19209656 0.76 SCN5A (0.51) SCN5ASCN9ASCN10A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 US disclosed
WO-2007089745-A2 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R & D HOLDINGS, LLC (US) 2007-08-09 WO 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-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 SCN5A 2170/4885SCN9A 3914/4885SCN10A 3179/4885

“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.