SCHEMBL438641

SCHEMBL438641

CC(=O)O[C@@H]1CC(=O)N(C2(OCc3ccccc3)CCCCC2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
ELANE P08246 3/20 0.37
ALDH1A1 P00352 1/20 0.36
METAP2 P50579 2/20 0.35
FKBP1A P62942 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
SCHEMBL3563708 0.74 ALDH1A1 (0.43) ELANEALDH1A1
SCHEMBL441927 0.73 CHRM2 (0.31)
SCHEMBL9636719 0.71 ALDH1A1 (0.55) ALDH1A1
SCHEMBL3593084 0.71 ALDH1A1 (0.55) ALDH1A1
SCHEMBL6658175 0.70 GSK3A (0.40) ALDH1A1
SCHEMBL444081 0.70 SLC18A3 (0.41) CTSKCTSBCTSSCTSLELANE
SCHEMBL444082 0.70 SLC18A3 (0.41) CTSKCTSBCTSSCTSLELANE
SCHEMBL4602108 0.68 SLC18A3 (0.40)
SCHEMBL4602773 0.68 SLC18A3 (0.40)
SCHEMBL4236701 0.67 PPARA (0.46) ALDH1A1

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-20120065408-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2012-03-15 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-20120065408-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 CTSK 881/4885CTSB 1081/4885CTSS 319/4885

“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.