SCHEMBL7692408

SCHEMBL7692408

CC1CC(C#N)(NC(=O)CCC2CCCCC2)CC(C)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALPL P05186 2/20 0.36
ALOX15 P16050 1/20 0.36
TNKS2 Q9H2K2 3/20 0.36
TNKS O95271 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6836051 0.77 CTSL (0.53) CTSLCTSBGAAHPGDALDH1A1
SCHEMBL6063791 0.75 CTSL (0.51) CTSLCTSBGAAHPGDALDH1A1
SCHEMBL6961684 0.72 CTSS (0.53) CTSLCTSBHPGD
SCHEMBL6965443 0.72 CTSS (0.54) CTSLCTSBHPGDALDH1A1MAPT
SCHEMBL5364825 0.70
SCHEMBL7417604 0.70 EPHX1 (0.33) CTSLALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL6063246 0.68 CTSL (0.66) CTSLCTSBGAAHPGDALDH1A1
SCHEMBL4044913 0.66 EPHX1 (0.46) CTSLCTSBHPGDALDH1A1NPC1
SCHEMBL4341580 0.66 HPGD (0.59) CTSLCTSBGAAHPGDALDH1A1
SCHEMBL5245833 0.65 HPGD (0.63) CTSLCTSBGAAHPGDALDH1A1

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-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 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-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSL 9/4885CTSB 3/4885GAA 176/4885

“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.