SCHEMBL2420862

SCHEMBL2420862

[c]1cccc(-c2noc3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.45
ESR2 Q92731 11/20 0.45
EPHX2 P34913 3/20 0.40
AOC3 Q16853 2/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
MAOB P27338 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
HIF1A Q16665 1/20 0.33

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
SCHEMBL541948 0.80 ESR1 (0.55) ESR1ESR2EPHX2AOC3CA12
SCHEMBL730985 0.78 ESR1 (0.40) ESR1ESR2EPHX2CA12CA1
SCHEMBL733028 0.78 ESR1 (0.40) ESR1ESR2EPHX2LMNA
SCHEMBL28430363 0.78 ESR1 (0.56) ESR1ESR2EPHX2AOC3CA12
Methylamine SCHEMBL27463475 0.75 ESR1 (0.50) ESR1ESR2EPHX2AOC3CA12
Methylamine SCHEMBL27489583 0.74 ESR1 (0.49) ESR1ESR2EPHX2AOC3CA12
Methylamine SCHEMBL28743725 0.74 ESR1 (0.49) ESR1ESR2EPHX2AOC3CA12
Methylamine SCHEMBL27501710 0.72 ESR1 (0.47) ESR1ESR2EPHX2AOC3CA12
SCHEMBL24566859 0.72 ESR1 (0.50) ESR1ESR2EPHX2AOC3CA12
SCHEMBL2549767 0.71 ESR1 (0.46) ESR1ESR2EPHX2AOC3CA12

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024146922-A1 C5AR1 INHIBITORS FOR USE IN THE TREATMENT OF OCULAR MUCOUS MEMBRANE PEMPHIGOID AND/OR ORAL MUCOUS MEMBRANE PEMPHIGOID DOMPE' FARMACEUTICI SPA (IT) 2024-07-11 WO claimed
EP-4397306-A1 C5AR1 INHIBITORS FOR USE IN THE TREATMENT OF OCULAR MUCOUS MEMBRANE PEMPHIGOID AND/OR ORAL MUCOUS MEMBRANE PEMPHIGOID Dompe' Farmaceutici S.P.A. (IT) 2024-07-10 EP claimed
US-20240180888-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES DOMPE' FARMACEUTICI SPA (IT) 2024-06-06 US claimed
EP-4308114-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES Dompe' Farmaceutici SpA (IT) 2024-01-24 EP claimed
CN-117337176-A C5AR1 inhibitors for treating hypersensitivity to taxanes 东佩制药股份公司 2024-01-02 CN claimed
US-20200397725-A1 C5AR INHIBITORS FOR USE IN THE TREATMENT OF CHEMOTHERAPY-INDUCED IATROGENIC PAIN DOMPE' FARMACEUTICI S.P.A. (IT) 2020-12-24 US claimed
EP-3723744-A2 C5AR INHIBITORS FOR USE IN THE TREATMENT OF CHEMOTHERAPY-INDUCED IATROGENIC PAIN Dompé farmaceutici S.p.A. (IT) 2020-10-21 EP claimed
WO-2019115493-A2 C5AR INHIBITORS FOR USE IN THE TREATMENT OF CHEMOTHERAPY-INDUCED IATROGENIC PAIN DOMPE' FARMACEUTICI S.P.A. (IT) 2019-06-20 WO claimed
EP-3498269-A1 C5AR INHIBITORS FOR USE IN THE TREATMENT OF CHEMOTHERAPY-INDUCED IATROGENIC PAIN Dompé farmaceutici S.p.A. (IT) 2019-06-19 EP claimed
US-8026367-B2 (R)-arylalkylamino derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2011-09-27 US claimed
US-20090124664-A1 (R)-Arylalkylamino Derivatives and Pharmaceutical Compositions Containing Them DOMPÉ FARMACEUTICI S.P.A. (IT) 2009-05-14 US claimed
EP-1951663-A2 (R)-ARYLKYLAMINO DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2008-08-06 EP claimed
WO-2007060215-A2 (R)-ARYLKYLAMINO DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA S.P.A. (IT) 2007-05-31 WO claimed
WO-2024146922-A1 C5AR1 INHIBITORS FOR USE IN THE TREATMENT OF OCULAR MUCOUS MEMBRANE PEMPHIGOID AND/OR ORAL MUCOUS MEMBRANE PEMPHIGOID DOMPE' FARMACEUTICI SPA (IT) 2024-07-11 WO disclosed
EP-4397306-A1 C5AR1 INHIBITORS FOR USE IN THE TREATMENT OF OCULAR MUCOUS MEMBRANE PEMPHIGOID AND/OR ORAL MUCOUS MEMBRANE PEMPHIGOID Dompe' Farmaceutici S.P.A. (IT) 2024-07-10 EP disclosed
US-20240180888-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES DOMPE' FARMACEUTICI SPA (IT) 2024-06-06 US disclosed
US-8026367-B2 (R)-arylalkylamino derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2011-09-27 US disclosed
US-20090124664-A1 (R)-Arylalkylamino Derivatives and Pharmaceutical Compositions Containing Them DOMPÉ FARMACEUTICI S.P.A. (IT) 2009-05-14 US disclosed
EP-1951663-A2 (R)-ARYLKYLAMINO DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2008-08-06 EP disclosed
WO-2007060215-A2 (R)-ARYLKYLAMINO DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA S.P.A. (IT) 2007-05-31 WO 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 (3 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-20240180888-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES C5AR1, C5AR2, C3AR1 ESR1 902/4885ESR2 2989/4885EPHX2 1122/4885
US-20090124664-A1 (R)-Arylalkylamino Derivatives and Pharmaceutical Compositions Containing Them C3AR1, C5AR1, CCR8 ESR1 3360/4885ESR2 2787/4885EPHX2 1208/4885
US-20200397725-A1 C5AR INHIBITORS FOR USE IN THE TREATMENT OF CHEMOTHERAPY-INDUCED IATROGENIC PAIN C5AR2, C5AR1, C3AR1 ESR1 2742/4885ESR2 3350/4885EPHX2 1897/4885

“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.