SCHEMBL24688166

SCHEMBL24688166

CCCCCc1c[nH]c(C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
PDPK1 O15530 1/20 0.33
SPHK1 Q9NYA1 4/20 0.33
GCGR P47871 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3702569 0.87 BACE1 (0.33)
SCHEMBL27935758 0.85 KCNH2 (0.43) KCNH2SPHK1S1PR4S1PR1
SCHEMBL28226762 0.85 KCNH2 (0.43) KCNH2SPHK1S1PR4S1PR1S1PR5
SCHEMBL1436379 0.85 KCNH2 (0.43) KCNH2SPHK1S1PR4S1PR1S1PR5
SCHEMBL3702219 0.79 ESR1 (0.30)
SCHEMBL10754466 0.78 HTR1D (0.35) TDP1
SCHEMBL7701413 0.76 KCNH2 (0.47) KCNH2PDPK1
SCHEMBL1063754 0.76 KCNH2 (0.47) KCNH2
SCHEMBL8675141 0.75 KCNH2 (0.34) KCNH2
SCHEMBL9817100 0.74 KCNH2 (0.50) KCNH2

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-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 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-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR KCNH2 4052/4885PDPK1 2283/4885SPHK1 2498/4885

“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.