SCHEMBL19681593

SCHEMBL19681593

CN(C)CCC1CCCCCCCC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.68
CYP1A2 P05177 1/20 0.48
BCHE P06276 3/20 0.38
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.37
KDM5A P29375 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM4A O75164 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
SCHEMBL6624957 1.00 SIGMAR1 (0.68) SIGMAR1CYP1A2BCHEACHEL3MBTL1
Water SCHEMBL31169614 0.97 SIGMAR1 (0.65) SIGMAR1CYP1A2BCHEACHEL3MBTL1
SCHEMBL8039198 0.97 SIGMAR1 (0.64) SIGMAR1CYP1A2BCHEACHEL3MBTL1
SCHEMBL28402059 0.89 SIGMAR1 (0.57) SIGMAR1CYP1A2BCHEACHEL3MBTL1
SCHEMBL18968071 0.86
SCHEMBL24595495 0.85 SIGMAR1 (0.83) SIGMAR1CYP1A2L3MBTL1PKMKDM5A
SCHEMBL173002 0.85 SIGMAR1 (0.83) SIGMAR1CYP1A2L3MBTL1PKMKDM5A
SCHEMBL19681594 0.85 SIGMAR1 (0.83) SIGMAR1CYP1A2L3MBTL1PKMKDM5A
SCHEMBL29594477 0.84 SIGMAR1 (0.56) SIGMAR1CYP1A2BCHEACHEL3MBTL1
SCHEMBL21726595 0.84 SIGMAR1 (0.52) SIGMAR1CYP1A2BCHEACHEL3MBTL1

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-20170349543-A1 CATIONIC SULFONAMIDE AMINO LIPIDS AND AMPHIPHILIC ZWITTERIONIC AMINO LIPIDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-12-07 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-20170349543-A1 CATIONIC SULFONAMIDE AMINO LIPIDS AND AMPHIPHILIC ZWITTERIONIC AMINO LIPIDS ABHD16A, AARS1, CFTR SIGMAR1 1671/4885CYP1A2 4836/4885BCHE 3535/4885

“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.