SCHEMBL5924628

SCHEMBL5924628

[CH2][C@@H](C)Cc1ccc(-c2ccccc2Cl)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.38
▸ MAPK14 Q16539 3/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ CYP11B1 P15538 4/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ AXL P30530 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ CYP1A2 P05177 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL5924633 0.85 FFAR1 (0.34) GAA
SCHEMBL14200502 0.80 GAA (0.43) IDO1GAAL3MBTL1DHODHCYP11B1
SCHEMBL5925079 0.77 LDHA (0.45) L3MBTL1TSHR
SCHEMBL31369706 0.75 HSD17B10 (0.51) DHODHCYP2C19ALOX15
SCHEMBL12568326 0.75 DHODH (0.41) DHODHPDCD1CD274
SCHEMBL27655120 0.74 ALDH1A1 (0.45) GAAL3MBTL1
SCHEMBL5924626 0.74 IDO1 (0.41) IDO1MAPK14GAAL3MBTL1DHODH
SCHEMBL2609360 0.73 IDO1 (0.43) IDO1MAPK14GAAL3MBTL1DHODH
SCHEMBL5924750 0.72 SMN1; SMN2 (0.43) MAPK14GAACYP11B1CYP11B2FLT3
SCHEMBL18814933 0.71 S1PR1 (0.41) IDO1OPRM1OPRK1CYP11B1CYP11B2

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-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 — — 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-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK IDO1 2583/4885MAPK14 3017/4885OPRM1 4286/4885

“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.

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