SCHEMBL6462862

SCHEMBL6462862

O=C(NCC(C(=O)NCC(O)(CCc1ccccc1)c1nc2ccccc2o1)C1CCCCC1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.37
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 1/20 0.32
MDM4 O15151 1/20 0.32
TP53 P04637 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
SCHEMBL6467507 0.87 OPRD1 (0.34) OPRD1KMT2ALMNAMAPTALOX5
SCHEMBL7048360 0.78 HTT (0.45) KMT2ALMNAMAPT
SCHEMBL7049306 0.69 DAGLA (0.44) KMT2ALMNAMAPT
SCHEMBL6462741 0.68 FAAH (0.36) KMT2ALMNAMAPT
SCHEMBL7046906 0.67 MAPT (0.43) KMT2ALMNAMAPT
SCHEMBL7182965 0.65 KMT2A (0.36) KMT2ALMNAMAPTALOX5
SCHEMBL24520149 0.64 KMT2A (0.54) OPRD1KMT2A
SCHEMBL10137468 0.64 KMT2A (0.54) OPRD1KMT2A
Hydrochloric Acid SCHEMBL6465937 0.64 FAAH (0.35) KMT2ALMNAMAPT
SCHEMBL6032374 0.64 KMT2A (0.67) OPRD1KMT2A

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 OPRD1 3531/4885KMT2A 3705/4885LMNA 1755/4885

“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.