SCHEMBL4916137

SCHEMBL4916137

CCC(O)C1(Cc2ccccc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TRPA1 O75762 2/20 0.40
LMNA P02545 1/20 0.37
OPRL1 P41146 3/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSK P43235 2/20 0.36
OPRD1 P41143 1/20 0.36
TP53 P04637 1/20 0.34

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
SCHEMBL31117953 0.75 MAOA (0.47) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL21061397 0.70 ADRB2 (0.41) MAOAMAOBLMNAOPRL1OPRM1
SCHEMBL10787894 0.69 MAOA (0.48) MAOAMAOB
SCHEMBL14315576 0.69 MAOA (0.37) MAOAMAOBTRPA1OPRL1OPRM1
SCHEMBL4904163 0.68 OPRM1 (0.41) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL6672640 0.67 MAOA (0.50) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL4206116 0.67 OPRL1 (0.56) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL12349005 0.67 MAOA (0.39) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL28495176 0.67 LMNA (0.42) MAOAMAOBTRPA1LMNAOPRL1
SCHEMBL27650244 0.67 MAOA (0.50) MAOAMAOBOPRL1OPRM1OPRK1

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-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 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-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE MAOA 2083/4885MAOB 2350/4885TRPA1 4452/4885

“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.