SCHEMBL29324504

SCHEMBL29324504

N#Cc1cccnc1OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.42
LRRK2 Q5S007 3/20 0.42
ELANE P08246 2/20 0.41
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
SSTR4 P31391 1/20 0.39
FFAR4 Q5NUL3 2/20 0.39
XDH P47989 1/20 0.39
KCNH2 Q12809 1/20 0.39
JAK3 P52333 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
SCHEMBL16464454 0.98 IP6K1 (0.43) IP6K1LRRK2ELANEALOX5APFEN1
SCHEMBL16054252 0.95 IP6K1 (0.43) IP6K1LRRK2ELANEALOX5APFEN1
SCHEMBL29846953 0.92 IP6K1 (0.44) IP6K1ELANEALOX5APFEN1SSTR4
SCHEMBL23761282 0.92 IP6K1 (0.44) IP6K1ELANEALOX5APFEN1SSTR4
SCHEMBL21606914 0.85 NMT1 (0.44) IP6K1KCNH2
SCHEMBL23417584 0.85 ALOX5AP (0.45) IP6K1ALOX5APFEN1SSTR4KCNH2
Hydrochloric Acid SCHEMBL30785461 0.84 NMT1 (0.43) IP6K1KCNH2
Hydrochloric Acid SCHEMBL23167968 0.84 ALOX5AP (0.44) IP6K1ALOX5APFEN1SSTR4KCNH2
Hydrochloric Acid SCHEMBL27158179 0.84 NMT1 (0.43) IP6K1KCNH2
SCHEMBL27303201 0.84 IP6K1 (0.41) IP6K1ELANEALOX5APFEN1SSTR4

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-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 IP6K1 117/4885LRRK2 103/4885ELANE 4199/4885

“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.