SCHEMBL507046

SCHEMBL507046

CC(C)(C)OC(=O)C1=CNC(Cl)=CC=C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5751644 0.72 NFKB1 (0.31) TP53MAPTALOX15HSD17B10
SCHEMBL25195357 0.67 CA12 (0.34) TP53MAPTALOX15HSD17B10
Hydrochloric Acid SCHEMBL27029865 0.66 CA12 (0.33) TP53MAPTALOX15HSD17B10
SCHEMBL29386151 0.66 TP53 (0.33) TP53MAPTALOX15HSD17B10
SCHEMBL27771574 0.66 TP53 (0.31) TP53MAPTALOX15HSD17B10
SCHEMBL3354761 0.66 TP53 (0.33) TP53MAPTALOX15HSD17B10
SCHEMBL8545778 0.65 TP53 (0.35) TP53MAPTALOX15HSD17B10
SCHEMBL29080196 0.64 TP53 (0.34) TP53MAPTALOX15HSD17B10
SCHEMBL22289959 0.64 GABRA1 (0.39) ALOX15
SCHEMBL13947269 0.62 TP53 (0.36) TP53MAPTALOX15HSD17B10

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-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A TP53 4830/4885MAPT 4526/4885ALOX15 1005/4885

“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.