SCHEMBL515779

SCHEMBL515779

CC(C)(C)C1[C@H](Cn2ccc3c(Cl)ncnc32)CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.35
FGFR4 P22455 3/20 0.35
SLC22A12 Q96S37 1/20 0.34
SCN9A Q15858 4/20 0.33
SCN5A Q14524 2/20 0.33
KCNH2 Q12809 1/20 0.33
NOTUM Q6P988 1/20 0.33
ACACB O00763 4/20 0.33
NNMT P40261 3/20 0.32
HRH3 Q9Y5N1 2/20 0.32
DGAT1 O75907 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL515282 1.00 FGFR1 (0.35) FGFR1FGFR4SLC22A12SCN9ASCN5A
SCHEMBL23882273 0.77 FGFR1 (0.38) FGFR1FGFR4SLC22A12SCN9ASCN5A
SCHEMBL515318 0.75 GPR119 (0.56)
SCHEMBL14806597 0.74 FGFR1 (0.38) FGFR1FGFR4SLC22A12SCN9ASCN5A
SCHEMBL14806596 0.74 FGFR1 (0.38) FGFR1FGFR4SLC22A12SCN9ASCN5A
SCHEMBL29950127 0.73 PIK3CD (0.41)
SCHEMBL23897580 0.73 PIK3CD (0.41)
SCHEMBL17406889 0.72 ACACB (0.43) FGFR1FGFR4SLC22A12SCN9AKCNH2
SCHEMBL17394745 0.71 GPR119 (0.46)
SCHEMBL1941046 0.71 ACACB (0.41) FGFR1FGFR4SLC22A12SCN9ASCN5A

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-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 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-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND GPR119, GPR4, GPR84 FGFR1 77/4885FGFR4 103/4885SLC22A12 835/4885

“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.