SCHEMBL18127484

SCHEMBL18127484

C[C@H](CCOc1ncccn1)[C@@H](O)CC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ADA P00813 1/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL17087573 0.77 NAAA (0.33)
SCHEMBL18127504 0.74 GAA (0.32) HTTGAAL3MBTL1
SCHEMBL18127479 0.72 CYP19A1 (0.41) HTTGAA
SCHEMBL17518395 0.72 CYP2C19 (0.32)
SCHEMBL18127457 0.72 HRH2 (0.47) HTT
SCHEMBL18127483 0.71 HRH2 (0.46) HTT
SCHEMBL17087579 0.70 PPARG (0.41) MEN1KMT2A
SCHEMBL18110405 0.70 ITGB3 (0.32) ACACB
SCHEMBL17087503 0.70 MAPT (0.50)
SCHEMBL17087482 0.70

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-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings ALLERGAN, INC. 2016-10-06 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-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings CHP1, UACA, CRYAB HTT 3071/4885GAA 3626/4885L3MBTL1 4040/4885

“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.