SCHEMBL19861156

SCHEMBL19861156

CCCCCCC(C)(CCCC)CC(=O)NCCN

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.42
SLC6A5 Q9Y345 2/20 0.41
NAAA Q02083 1/20 0.40
FAAH O00519 3/20 0.39
RRM1 P23921 1/20 0.39
EPHX1 P07099 3/20 0.38
SMPD1 P17405 2/20 0.38
FDPS P14324 1/20 0.38

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
SCHEMBL20076162 0.88 SLC6A5 (0.46) CASP2SLC6A5NAAAFAAHRRM1
SCHEMBL20076165 0.86 CASP2 (0.43) CASP2SLC6A5NAAAFAAHRRM1
SCHEMBL19861310 0.85 SLC6A5 (0.46) CASP2SLC6A5NAAAFAAHRRM1
SCHEMBL19861148 0.82 SLC6A5 (0.38) CASP2SLC6A5NAAAFAAHRRM1
SCHEMBL23015887 0.79 FAAH (0.39) CASP2NAAAFAAHEPHX1
SCHEMBL19645196 0.78 MEN1 (0.39) CASP2FAAHEPHX1FDPS
SCHEMBL19176755 0.78 CTSS (0.38) CASP2FAAHEPHX1
SCHEMBL24176618 0.78 EPHX1 (0.46) CASP2SLC6A5RRM1EPHX1SMPD1
SCHEMBL18799385 0.77 MEN1 (0.38) CASP2FAAHEPHX1FDPS
SCHEMBL25007851 0.76 CES2 (0.40) CASP2FAAHEPHX1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 US disclosed
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 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 (2 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-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 CASP2 1407/4885SLC6A5 1416/4885NAAA 4715/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 CASP2 1390/4885SLC6A5 1543/4885NAAA 4743/4885

“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.