SCHEMBL30005742

SCHEMBL30005742

CC(=O)NN=C1Nc2c(C)cc3c(c2NC1(C)C)CCO3

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ DRD2 P14416 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL23658916 1.00 MTNR1A (0.32) MTNR1AMTNR1BDRD2HTR2ADRD3
SCHEMBL23658833 0.88 — —
SCHEMBL23658906 0.85 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL30005861 0.85 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL23647726 0.80 — —
SCHEMBL23658835 0.76 KMT2A (0.35) —
SCHEMBL21624377 0.74 TOP2A (0.31) —
SCHEMBL21624378 0.74 TOP2A (0.31) —
SCHEMBL30005421 0.74 TOP2A (0.31) —
SCHEMBL23647846 0.73 — —

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
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 — — EP disclosed
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 — — US disclosed
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 — — EP 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-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 MTNR1A 15/4885MTNR1B 39/4885DRD2 1238/4885

“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.

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