SCHEMBL6463758

SCHEMBL6463758

O=C(CCC1CCCCC1)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
PRSS1 P07477 3/20 0.46
F2 P00734 2/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL6803362 0.82 ALOX15 (0.49) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6062029 0.82 CNR1 (0.48) CNR1PRSS1F2PRSS2PRSS3
SCHEMBL7048589 0.82 CNR1 (0.48) CNR1PRSS1F2PRSS2PRSS3
SCHEMBL6468629 0.80 CTSS (0.48) MEN1RAB9AKMT2A
SCHEMBL6463419 0.80 CTSS (0.48) MEN1RAB9AKMT2A
SCHEMBL6465141 0.80 CTSS (0.48) MEN1RAB9AKMT2A
SCHEMBL6464884 0.79 CTSS (0.49) MEN1RAB9AKMT2A
SCHEMBL6463764 0.79 CNR1 (0.53) CNR1KDM4EMEN1NPC1RAB9A
SCHEMBL6799441 0.78 MEN1 (0.41) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6462775 0.77 CES1 (0.47) MEN1RAB9AKMT2A

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 CNR1 3184/4885PRSS1 5/4885F2 1047/4885

“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.