SCHEMBL7808253

SCHEMBL7808253

CC(=O)N1CCCC(OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.39
CYP4F2 P78329 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NAMPT P43490 1/20 0.37
PDE4B Q07343 1/20 0.36
HPGD P15428 1/20 0.36
CHEK2 O96017 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP11B2 P19099 2/20 0.34
HTR2A P28223 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL25093261 0.89 EPHX2 (0.38) NAMPTPDE4BHPGD
SCHEMBL26363882 0.85 ALDH1A1 (0.36) ALDH1A1MEN1MAPTKMT2ACA1
SCHEMBL12163674 0.83 MEN1 (0.31) ALDH1A1MEN1MAPTKMT2ACA1
SCHEMBL11998894 0.81 CHRNB2 (0.43) CYP1A2
SCHEMBL23328997 0.81 BTK (0.40)
SCHEMBL14548914 0.80 DPP4 (0.43) CYP4A11CYP4F2ALDH1A1MAPK1MTNR1A
SCHEMBL13910098 0.79 SMN1; SMN2 (0.41) CYP4A11CYP4F2ALDH1A1MAPK1MTNR1A
SCHEMBL4569257 0.78 EPHX2 (0.44) ALDH1A1HPGDCYP1A2
SCHEMBL28790450 0.76 DPP4 (0.40) CYP4A11CYP4F2ALDH1A1MAPK1MTNR1A
SCHEMBL8374148 0.76 TAAR1 (0.43) CYP4A11CYP4F2ALDH1A1MAPK1MTNR1A

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-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (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-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CYP4A11 970/4885CYP4F2 788/4885ALDH1A1 209/4885

“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.