SCHEMBL13248656

SCHEMBL13248656

CC(C)C(=O)[C@H](COc1ccccc1)C(C)(C)N

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MTNR1A P48039 3/20 0.48
MTNR1B P49286 3/20 0.48
MAOA P21397 1/20 0.45
PTGS1 P23219 1/20 0.45
CYP2D6 P10635 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
SCN4A P35499 2/20 0.40
ALOX15 P16050 1/20 0.40
FFAR1 O14842 1/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 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
SCHEMBL13295257 0.82 LMNA (0.45) LMNAMTNR1AMTNR1BMAOAPTGS1
SCHEMBL21000898 0.74 LMNA (0.58) LMNAMTNR1AMTNR1BMAOAPTGS1
SCHEMBL17359116 0.73 LMNA (0.49) LMNAMTNR1AMTNR1BMAOAPTGS1
Benzamide SCHEMBL5823348 0.71 PARP10 (0.53) LMNAMTNR1AMTNR1BCYP2D6
Acetic Acid SCHEMBL28158342 0.70 MTNR1A (0.60) LMNAMTNR1AMTNR1BMAOAPTGS1
SCHEMBL10612565 0.70 LMNA (0.58) LMNAMTNR1AMTNR1BMAOAPTGS1
SCHEMBL6809829 0.70 LMNA (0.58) LMNAMTNR1AMTNR1BMAOAPTGS1
SCHEMBL16501753 0.70 LMNA (0.49) LMNAMTNR1AMTNR1BMAOAPTGS1
SCHEMBL4972800 0.70 LMNA (0.45) LMNAMTNR1AMTNR1BMAOAPTGS1
SCHEMBL15866588 0.70 LMNA (0.62) LMNAMTNR1AMTNR1BMAOAPTGS1

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-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-15 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-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE TDO2, AOX1, DAO LMNA 3219/4885MTNR1A 2309/4885MTNR1B 3043/4885

“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.