SCHEMBL5925035

SCHEMBL5925035

O=[C]NCCc1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
CNR1 P21554 1/20 0.37
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
AR P10275 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
GLS O94925 1/20 0.31
DNMT3B Q9UBC3 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL5544611 0.79 HTT (0.36) DAOTAAR1NPC1ARKMT2A
SCHEMBL8501463 0.78 TAAR1 (0.58) TAAR1CNR1KMT2AMEN1LMNA
SCHEMBL8338496 0.72 TAAR1 (0.61) TAAR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL8293447 0.72 TAAR1 (0.45) DAOTAAR1CNR1NPC1RAB9A
SCHEMBL4843665 0.72 TAAR1 (0.41) DAOTAAR1NPC1ARKMT2A
SCHEMBL7701701 0.72 TAAR1 (0.52) DAOTAAR1KDM4EALDH1A1POLB
SCHEMBL5925042 0.72 MEN1 (0.38) DAOTAAR1CNR1NPC1RAB9A
SCHEMBL350048 0.69 TAAR1 (0.55) TAAR1KDM4EALDH1A1
SCHEMBL6206211 0.69 TAAR1 (0.45) DAOTAAR1NPC1ARKMT2A
SCHEMBL2141552 0.69 TAAR1 (0.40) DAOTAAR1NPC1ARKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
EP-1569954-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP disclosed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 WO 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-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK DAO 476/4885TAAR1 4560/4885CNR1 1990/4885

“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.