SCHEMBL2677256

SCHEMBL2677256

CC(C)c1cccc(C(C)C)c1OC(=O)[C@@H]1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL10241519 1.00 SCN4A (0.43) SCN4ACYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL6260458 0.99 SCN4A (0.42) SCN4ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23299367 0.86 SCN5A (0.38) SCN4ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23299355 0.86 SCN5A (0.38) SCN4ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23299333 0.83 SLC6A3 (0.39)
SCHEMBL28049435 0.81 SCN5A (0.42) SCN5ASCN9ASCN10A
SCHEMBL17551731 0.78 SCN4A (0.35) SCN4ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3160590 0.77 PRCP (0.48)
SCHEMBL17598343 0.76 SCN4A (0.34) SCN4ACYP1A2CYP3A4CYP2D6CYP2C19
Propofol SCHEMBL2678239 0.76 SLC6A2 (0.49) SCN4ACYP1A2CYP3A4CYP2D6CYP2C19

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 6 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
US-20060241017-A1 Novel compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC 2006-10-26 US disclosed
EP-1660017-A2 AMINO ACID PRODRUGS Signature R&D Holdings, LLC (US) 2006-05-31 EP disclosed
WO-2005046575-A2 AMINO ACID PRODRUGS SIGNATURE R & D HOLDINGS, LCC (US) 2005-05-26 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 (2 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 SCN4A 4241/4885CYP1A2 2425/4885CYP3A4 1810/4885
US-20060241017-A1 Novel compounds with high therapeutic index IL4I1, SLC7A1, GOT1 SCN4A 4241/4885CYP1A2 2425/4885CYP3A4 1810/4885

“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.