SCHEMBL7048644

SCHEMBL7048644

O=C(CCC1CCCCC1)NC(CCc1ccccc1)C(=O)c1ncc(-c2ccccc2)o1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 15/20 0.47
CES1 P23141 1/20 0.47
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
F11 P03951 1/20 0.42
KLKB1 P03952 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL6472183 0.83 FAAH (0.48) FAAHCES1MEN1ALDH1A1KMT2A
SCHEMBL7045312 0.82 CTSL (0.46) FAAHCES1CTSLCTSBCTSS
SCHEMBL7047954 0.82 F11 (0.47) FAAHCES1MEN1ALDH1A1KMT2A
SCHEMBL6468629 0.81 CTSS (0.48) FAAHCES1MEN1KMT2ACTSL
SCHEMBL6463419 0.81 CTSS (0.48) FAAHCES1MEN1KMT2ACTSL
SCHEMBL6465141 0.81 CTSS (0.48) FAAHCES1MEN1KMT2ACTSL
SCHEMBL6464884 0.80 CTSS (0.49) FAAHCES1MEN1KMT2ACTSL
SCHEMBL6462775 0.80 CES1 (0.47) CES1MEN1ALDH1A1KMT2ATDP1
SCHEMBL6799441 0.79 MEN1 (0.41) MEN1ALDH1A1KMT2ATDP1CTSL
SCHEMBL6464300 0.78 CTSS (0.44) MEN1KMT2ACTSLCTSBCTSS

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ FAAH 479/4885CES1 272/4885MEN1 4023/4885

“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.