SCHEMBL12450938

SCHEMBL12450938

COC(=O)C(C)N1CCN(C(=O)CCc2ccccc2)CC(NCCCc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 8/20 0.46
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CHRNB2 P17787 2/20 0.42
▸ CHRNA4 P43681 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40

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
SCHEMBL14370030 0.87 HPGD (0.47) FAAHHPGDSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL12914622 0.87 HPGD (0.47) FAAHHPGDSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8763121 0.75 HPGD (0.42) FAAHHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL8763113 0.71 XIAP (0.43) FAAHHPGDSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL13201994 0.71 CTSK (0.43) ALDH1A1L3MBTL1
SCHEMBL10913538 0.70 ACE (0.55) TDP1LMNA
SCHEMBL13197149 0.70 CASP1 (0.51) HPGDSMN1; SMN2
SCHEMBL12450934 0.70 CASP1 (0.51) HPGDSMN1; SMN2
SCHEMBL14370033 0.70 CASP1 (0.52) HPGDSMN1; SMN2
SCHEMBL950190 0.70 CASP1 (0.52) HPGDSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 — — US disclosed
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 — — 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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 FAAH 669/4885HPGD 935/4885SMN1; SMN2 1407/4885

“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.

Send feedback