SCHEMBL8059112

SCHEMBL8059112

CN1CCN(CC(=O)NCC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.50
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 1/20 0.45
ALPL P05186 1/20 0.43
PTBP1 P26599 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40

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
SCHEMBL8063156 0.85 ALDH1A1 (0.60) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL15494468 0.85 SIGMAR1 (0.50) SIGMAR1KDM4EALOX15ALPLPTBP1
SCHEMBL18177907 0.84 ALDH1A1 (0.63) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL19958938 0.82 SIGMAR1 (0.43) SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL8059039 0.81 SMN1; SMN2 (0.66) SIGMAR1KDM4EALOX15ALDH1A1MEN1
SCHEMBL24884865 0.81 SIGMAR1 (0.50) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8434592 0.79 SIGMAR1 (0.54) SIGMAR1KDM4EALOX15ALPLPTBP1
SCHEMBL25570287 0.79 HTT (0.55) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8248140 0.78 ALDH1A1 (0.61) SIGMAR1KDM4EALOX15ALPLPTBP1
SCHEMBL27259214 0.78 SIGMAR1 (0.56) SIGMAR1KDM4EALOX15ALDH1A1CYP2C19

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-20240230687-A1 MASS TAGS FOR LIPID ANALYSES TEXAS A & M UNIV SYS (US) 2024-07-11 US disclosed
US-20080132500-A1 Antibiotic compounds MERCK SHARP & DOHME CORP. 2008-06-05 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-20240230687-A1 MASS TAGS FOR LIPID ANALYSES MBOAT7, LIPC, PNLIP SIGMAR1 4727/4885KDM4E 3120/4885ALOX15 497/4885
US-20080132500-A1 Antibiotic compounds NRDC, MRPL21, PEPD SIGMAR1 2910/4885KDM4E 4740/4885ALOX15 4220/4885

“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.