SCHEMBL20076162

SCHEMBL20076162

CCCCCCC(C)(CCC)CC(=O)NCCCN

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.46
CASP2 P42575 1/20 0.44
NAAA Q02083 1/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
RRM1 P23921 1/20 0.40
EPHX1 P07099 6/20 0.40
FAAH O00519 2/20 0.40
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 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
SCHEMBL19861310 0.91 SLC6A5 (0.46) SLC6A5CASP2NAAAGNAI3GNAO1
SCHEMBL19861156 0.88 CASP2 (0.42) SLC6A5CASP2NAAARRM1EPHX1
SCHEMBL21025679 0.78 MEN1 (0.38) CASP2EPHX1FAAH
SCHEMBL20076165 0.77 CASP2 (0.43) SLC6A5CASP2NAAARRM1EPHX1
SCHEMBL23015887 0.76 FAAH (0.39) CASP2NAAAEPHX1FAAH
SCHEMBL7885117 0.75 EPHX1 (0.50) SLC6A5CASP2GNAI3GNAO1GNAI1
SCHEMBL20417363 0.74 CASP2 (0.56) CASP2NAAAEPHX1FAAH
SCHEMBL115809 0.74 SLC6A5 (0.73) SLC6A5CASP2NAAAFAAH
SCHEMBL24682149 0.74 SLC6A5 (0.73) SLC6A5CASP2NAAAFAAH
SCHEMBL25007851 0.74 CES2 (0.40) CASP2EPHX1FAAH

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 2 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

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 SLC6A5 1416/4885CASP2 1407/4885NAAA 4715/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 SLC6A5 1543/4885CASP2 1390/4885NAAA 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.