SCHEMBL2457566

SCHEMBL2457566

C[C@@H](NC(=O)CCCN1CCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
DRD2 P14416 5/20 0.47
HTR1A P08908 4/20 0.47
HTR7 P34969 4/20 0.47
HTR6 P50406 4/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CXCR2 P25025 1/20 0.45
HRH3 Q9Y5N1 5/20 0.44
PRCP P42785 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL21056146 1.00 NPC1 (0.47) NPC1DRD2HTR1AHTR7HTR6
SCHEMBL2427239 0.99 MEN1 (0.47) NPC1DRD2HTR1AHTR7HTR6
SCHEMBL17928899 0.83 KMT2A (0.45) NPC1DRD2HTR1AHTR7HTR6
SCHEMBL252131 0.79 CXCR2 (0.56) DRD2KMT2AMEN1CXCR2DRD1
SCHEMBL2556708 0.79 CXCR2 (0.56) DRD2KMT2AMEN1CXCR2DRD1
SCHEMBL252140 0.78 CXCR2 (0.55) DRD2KMT2AMEN1CXCR2DRD3
SCHEMBL251855 0.78 CXCR2 (0.55) DRD2KMT2AMEN1CXCR2DRD3
Hydrochloric Acid SCHEMBL253136 0.78 CXCR2 (0.55) DRD2KMT2AMEN1CXCR2DRD1
Hydrochloric Acid SCHEMBL5569882 0.78 CXCR2 (0.54) DRD2KMT2AMEN1CXCR2DRD3
Hydrochloric Acid SCHEMBL251520 0.78 CXCR2 (0.54) DRD2KMT2AMEN1CXCR2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1951663-B1 (R)-ARYLKYLAMINO DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ FARMACEUTICI S P A (IT) 2016-07-20 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
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
EP-4308114-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES Dompe' Farmaceutici SpA (IT) 2024-01-24 EP disclosed
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 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
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 NPC1 3083/4885DRD2 3045/4885HTR1A 468/4885
US-20090124664-A1 (R)-Arylalkylamino Derivatives and Pharmaceutical Compositions Containing Them C3AR1, C5AR1, CCR8 NPC1 3579/4885DRD2 1392/4885HTR1A 1592/4885
US-20200397725-A1 C5AR INHIBITORS FOR USE IN THE TREATMENT OF CHEMOTHERAPY-INDUCED IATROGENIC PAIN C5AR2, C5AR1, C3AR1 NPC1 3634/4885DRD2 2313/4885HTR1A 464/4885

“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.