SCHEMBL3220538

SCHEMBL3220538

C=CCCNC1(C#N)CCC2(CC1)OCCO2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
CTSB P07858 1/20 0.31

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
SCHEMBL3572662 0.79 KMT2A (0.40) CTSSCTSKCTSB
SCHEMBL735159 0.69 CTSS (0.37) CTSSCTSKCTSB
SCHEMBL12380878 0.68 CTSS (0.38) CTSSCTSKCTSB
SCHEMBL31147406 0.66
SCHEMBL31715801 0.65 CTSB (0.33) CTSSCTSKCTSB
SCHEMBL3220526 0.64
SCHEMBL22884871 0.62 ALDH1A1 (0.34)
SCHEMBL4545427 0.61
SCHEMBL28489967 0.59 ALDH1A1 (0.30)
SCHEMBL1809810 0.59 L3MBTL1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678834-B2 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2010-03-16 US disclosed
EP-1406859-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES GRUENENTHAL GMBH (DE) 2008-01-02 EP disclosed
US-20040214822-A1 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2004-10-28 US disclosed
EP-1406859-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003008371-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2003-01-30 WO 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-20040214822-A1 Substituted 4-aminocyclohexanol compounds ADRA2C, OPRD1, OPRK1 CTSS 2056/4885CTSK 1416/4885CTSB 2651/4885

“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.