SCHEMBL27409142

SCHEMBL27409142

CCC(C)(C)c1cc(F)ccc1CN

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.41
MPO P05164 1/20 0.38
RIPK1 Q13546 3/20 0.37
AGXT P21549 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
NR3C1 P04150 5/20 0.33
NR3C2 P08235 5/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
PGR P06401 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL179547 0.83 IDO1 (0.44) IDO1MPORIPK1AGXTLOXL2
SCHEMBL27667516 0.79 IDO1 (0.36) IDO1MPORIPK1SLC6A2SLC6A4
SCHEMBL109671 0.77 IDO1 (0.65) IDO1MPOAGXTLOXL2SLC6A2
SCHEMBL19413082 0.77 RIPK1 (0.41) IDO1RIPK1NR3C1NR3C2
SCHEMBL27576203 0.77 IDO1 (0.35) IDO1MPORIPK1NR3C1NR3C2
SCHEMBL27594514 0.76 IDO1 (0.39) IDO1MPORIPK1AGXTLOXL2
SCHEMBL27576202 0.76 IDO1 (0.39) IDO1MPOAGXTLOXL2NR3C1
SCHEMBL23964558 0.74 NR3C1 (0.43) RIPK1NR3C1NR3C2PGR
SCHEMBL28113513 0.74 RIPK1 (0.33) IDO1RIPK1NR3C1NR3C2
SCHEMBL23612388 0.73 PNMT (0.45) IDO1LOXL2

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-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 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-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD IDO1 3086/4885MPO 1791/4885RIPK1 458/4885

“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.