SCHEMBL29980879

SCHEMBL29980879

CC(C)(C)OC(=O)NC[C@@H]1OCCc2c(-c3ccncc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.43
ACACA Q13085 3/20 0.43
PTGDR Q13258 1/20 0.39
THRB P10828 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
XBP1 P17861 1/20 0.36
LATS1 O95835 1/20 0.36

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
SCHEMBL20718106 1.00 ACACB (0.43) ACACBACACAPTGDRTHRBALDH1A1
SCHEMBL20718104 1.00 ACACB (0.43) ACACBACACAPTGDRTHRBALDH1A1
SCHEMBL29980816 1.00 ACACB (0.43) ACACBACACAPTGDRTHRBALDH1A1
SCHEMBL20718103 1.00 ACACB (0.43) ACACBACACAPTGDRTHRBALDH1A1
SCHEMBL29982343 1.00 ACACB (0.43) ACACBACACAPTGDRTHRBALDH1A1
SCHEMBL29981576 1.00 ACACB (0.43) ACACBACACAPTGDRTHRBALDH1A1
SCHEMBL20718183 0.95 ACACB (0.43) ACACBACACAPTGDRTHRBALDH1A1
SCHEMBL20718182 0.95 ACACB (0.43) ACACBACACAPTGDRTHRBALDH1A1
SCHEMBL20718184 0.95 ACACB (0.43) ACACBACACAPTGDRTHRBALDH1A1
SCHEMBL29980863 0.95 ACACB (0.43) ACACBACACAPTGDRTHRBALDH1A1

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-11491133-B2 Heteroaryl-isochroman compounds and uses thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-11-08 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-11491133-B2 Heteroaryl-isochroman compounds and uses thereof GRIN2C, INA, SDHA ACACB 641/4885ACACA 604/4885PTGDR 599/4885

“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.