SCHEMBL30005861

SCHEMBL30005861

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

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 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
SCHEMBL23658906 1.00 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL23658916 0.85 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL30005742 0.85 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL23658833 0.84 — —
SCHEMBL23647745 0.82 — —
SCHEMBL30005999 0.78 MOGAT2 (0.34) —
SCHEMBL23647912 0.78 MOGAT2 (0.34) —
SCHEMBL21636853 0.77 AR (0.30) —
SCHEMBL21624331 0.77 AR (0.30) —
SCHEMBL21624330 0.77 AR (0.30) —

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 39/4885

“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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