SCHEMBL21346586

SCHEMBL21346586

CCCC(C)(C)OC(=O)OC(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.34
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 2/20 0.30
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
ADRA1A P35348 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CTSK P43235 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
SCHEMBL6896742 0.85 LMNA (0.32) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL6894815 0.85 CTSK (0.34) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL4916062 0.85 LMNA (0.37) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL19018795 0.82 CA1 (0.30) LMNAHSD17B10
SCHEMBL6892526 0.81 LMNA (0.32) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL12514262 0.80
SCHEMBL609524 0.80 LMNA (0.40) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL15160841 0.78 CA1 (0.41) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL9608672 0.76 LMNA (0.39) GRM1LMNAHSD17B10TSHRCYP3A4
SCHEMBL12306266 0.76 CA1 (0.37) CTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2020-11-03 US disclosed
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-12 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 (3 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-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE GRM1 273/4885LMNA 1349/4885HSD17B10 615/4885
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE GRM1 273/4885LMNA 1349/4885HSD17B10 615/4885
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE GRM1 273/4885LMNA 1349/4885HSD17B10 615/4885

“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.