SCHEMBL19681647

SCHEMBL19681647

CCCCCN1CCN(CCCN)[C@@H](C)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.42
GNAO1 P09471 3/20 0.42
GNAI1 P63096 3/20 0.42
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
BCHE P06276 1/20 0.39
GUSB P08236 2/20 0.38
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL9801649 0.92 KEAP1 (0.39) SIGMAR1KCNJ1KCNH2
SCHEMBL9801938 0.90 KCNJ1 (0.37) GNAI3GNAO1GNAI1EBPSIGMAR1
SCHEMBL9801120 0.86 KCNJ1 (0.38) SIGMAR1KCNJ1KCNH2
SCHEMBL9801503 0.85 SIGMAR1 (0.42) SIGMAR1KCNJ1KCNH2
SCHEMBL9801172 0.84 MAPK1 (0.40) SIGMAR1KCNJ1KCNH2
SCHEMBL9801539 0.82 MAPK1 (0.48) SIGMAR1KCNJ1KCNH2
SCHEMBL9801487 0.80 ALOX15 (0.43) GNAI3GNAO1GNAI1SIGMAR1KCNJ1
SCHEMBL6277287 0.78 GNAI3 (0.63) GNAI3GNAO1GNAI1
SCHEMBL28822838 0.78 SIGMAR1 (0.38) EBPSIGMAR1KCNJ1KCNH2
SCHEMBL8736521 0.77 ALOX15 (0.48) SIGMAR1KCNJ1KCNH2

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 GNAI3 1909/4885GNAO1 3064/4885GNAI1 1484/4885

“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.