SCHEMBL6466336

SCHEMBL6466336

O=C(CCC1CCCC1)N[C@@H](CCc1ccccc1)C(O)c1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SOAT1 P35610 1/20 0.39
FAAH O00519 1/20 0.38
CES1 P23141 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
BMP1 P13497 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KLK7 P49862 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL6463649 0.99 MEN1 (0.40) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL6473321 0.99 MEN1 (0.40) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL6465745 0.89 KMT2A (0.43) MEN1KMT2ARAB9ALMNACTSL
SCHEMBL6465251 0.89 LMNA (0.40) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL7186564 0.87 MMP1 (0.39) MEN1KMT2ARAB9ACTSLCTSB
SCHEMBL6462287 0.87 FAAH (0.44) RAB9ALMNAMAPTFAAHCES1
SCHEMBL7042906 0.86 DAGLA (0.46) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL7047598 0.86 CTSL (0.40) KMT2ALMNAMAPTCTSLCTSS
SCHEMBL6466278 0.84 BMP1 (0.36) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL7047934 0.84 CTSS (0.46) CTSLCTSBCTSS

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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 MEN1 4023/4885KMT2A 3705/4885RAB9A 1895/4885

“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.