SCHEMBL16276160

SCHEMBL16276160

CC(C)C(=O)COCC(=O)NCCCCCCCNC(=O)COCC=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ NAMPT P43490 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CASP2 P42575 1/20 0.33
▸ NAAA Q02083 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ EPHX1 P07099 3/20 0.31
▸ BCHE P06276 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ LMNA P02545 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
SCHEMBL16277091 0.83 FAAH (0.45) FAAHNAMPTALDH1A1SMN1; SMN2MEN1
SCHEMBL22539971 0.81 FAAH (0.58) FAAHCASP2NAAAEPHX1
SCHEMBL21538029 0.80 TDP1 (0.31) —
SCHEMBL22856128 0.73 MEN1 (0.53) FAAHMEN1KMT2ACASP2ACHE
SCHEMBL25489116 0.73 NAMPT (0.47) FAAHNAMPTALDH1A1MEN1KMT2A
SCHEMBL21131782 0.72 LGALS1 (0.43) ALDH1A1CASP2KDM4ELMNA
SCHEMBL18893543 0.72 EPHX2 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL15773187 0.72 CYP2C19 (0.38) FAAHNAMPTALDH1A1SMN1; SMN2
SCHEMBL22790738 0.72 MEN1 (0.52) FAAHMEN1KMT2ACASP2
SCHEMBL29978313 0.71 CA3 (0.36) —

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-20140357656-A1 Bivalent Ligands for the Treatment of Neurological Disorders VIRGINIA COMMONWEALTH UNIVERSITY (US) 2014-12-04 — — 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-20140357656-A1 Bivalent Ligands for the Treatment of Neurological Disorders CCR5, OPRM1, OPRK1 FAAH 1711/4885NAMPT 3174/4885ALDH1A1 3148/4885

“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.

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