SCHEMBL31018746

SCHEMBL31018746

[2H]C([2H])(N)c1ccnc(OC(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 10/20 0.45
▸ LOX P28300 5/20 0.45
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ GRM2 Q14416 6/20 0.34
▸ LOXL3 P58215 1/20 0.33
▸ UTRN P46939 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 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
Hydrochloric Acid SCHEMBL30500402 0.98 LOXL2 (0.44) LOXL2LOXHCRTR1HCRTR2GRM2
SCHEMBL13164105 0.86 LOXL2 (0.61) LOXL2LOXHCRTR1HCRTR2LOXL3
Hydrochloric Acid SCHEMBL25210344 0.85 LOXL2 (0.59) LOXL2LOXHCRTR1HCRTR2LOXL3
SCHEMBL4536253 0.79 HCRTR1 (0.40) LOXL2LOXHCRTR1HCRTR2GRM2
SCHEMBL14925194 0.79 HCRTR1 (0.40) LOXL2LOXHCRTR1HCRTR2GRM2
SCHEMBL18083206 0.79 NOS3 (0.47) LOXL2LOXHCRTR1HCRTR2GRM2
SCHEMBL1437199 0.79 RECQL (0.47) LOXL2LOXHCRTR1HCRTR2GRM2
SCHEMBL30329140 0.79 RECQL (0.47) LOXL2LOXHCRTR1HCRTR2GRM2
SCHEMBL17000198 0.77 LOXL2 (0.41) LOXL2LOXHCRTR1HCRTR2GRM2
SCHEMBL28806544 0.77 HCRTR1 (0.38) LOXL2LOXHCRTR1HCRTR2GRM2

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-20240336571-A1 NOVEL CYCLOPROPYL COMPOUNDS ANGELINI PHARMA S.P.A. (IT) 2024-10-10 — — 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-20240336571-A1 NOVEL CYCLOPROPYL COMPOUNDS C1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR1 LOXL2 4525/4885LOX 4419/4885HCRTR1 378/4885

“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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