SCHEMBL17536372

SCHEMBL17536372

Cc1ccc(Oc2ncc(N3CN[C@H](C)C3)cn2)cc1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.35
▸ RXRA P19793 3/20 0.32
▸ GRIN1 Q05586 3/20 0.32
▸ GRIN2B Q13224 3/20 0.32
▸ SCN9A Q15858 5/20 0.32
▸ SCN10A Q9Y5Y9 2/20 0.32
▸ EGFR P00533 2/20 0.31
▸ BTK Q06187 2/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ XIAP P98170 1/20 0.30
▸ BIRC2 Q13490 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
SCHEMBL13721567 0.77 RXRA (0.32) RXRAGRIN1GRIN2B
SCHEMBL17354628 0.77 RXRA (0.40) RXRAGRIN1GRIN2BDRD1
SCHEMBL12593967 0.75 KDM4E (0.38) RXRAGRIN1GRIN2BSCN9ASCN10A
SCHEMBL30939671 0.73 POLB (0.33) MCHR1RXRAGRIN1GRIN2BDRD1
SCHEMBL22026376 0.73 POLB (0.33) MCHR1RXRAGRIN1GRIN2BDRD1
SCHEMBL1978645 0.73 POLB (0.33) MCHR1RXRAGRIN1GRIN2BDRD1
SCHEMBL30939555 0.72 AR (0.45) DRD1
SCHEMBL1982062 0.72 AR (0.45) DRD1
SCHEMBL19749082 0.71 AR (0.41) RXRAGRIN1GRIN2BDRD1
SCHEMBL19805321 0.71 DRD1 (0.32) SCN9ADRD1

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-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2016-03-03 — — 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-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 MCHR1 1923/4885RXRA 3878/4885GRIN1 180/4885

“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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