SCHEMBL4182146

SCHEMBL4182146

[CH2]CCN1CCC(C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.37
KCNH2 Q12809 8/20 0.37
DRD2 P14416 8/20 0.37
DRD4 P21917 2/20 0.34
HRH3 Q9Y5N1 2/20 0.33
SLC6A4 P31645 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
SCHEMBL772376 0.82 DRD3 (0.33) DRD3KCNH2DRD2DRD4
SCHEMBL5069748 0.78 DRD3 (0.42) DRD3KCNH2DRD2DRD4HRH3
SCHEMBL25436244 0.78 DRD2 (0.44) DRD3KCNH2DRD2SLC6A4
SCHEMBL1473088 0.78 KMT2A (0.46) DRD3KCNH2DRD2DRD4
SCHEMBL597482 0.78 ALOX15 (0.50) DRD3KCNH2DRD2DRD4
Hydrochloric Acid SCHEMBL4357773 0.77 DRD3 (0.39) DRD3KCNH2DRD2DRD4HRH3
SCHEMBL738625 0.77 HRH3 (0.38) HRH3
SCHEMBL2209216 0.75 KEAP1 (0.45) DRD3KCNH2DRD2HRH3SLC6A4
Hydrochloric Acid SCHEMBL4362956 0.74 DRD3 (0.37) DRD3KCNH2DRD2DRD4HRH3
SCHEMBL13896727 0.74 ARG1 (0.44) DRD3KCNH2DRD2DRD4HRH3

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3880051-B2 2007-02-14 JP claimed
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 US claimed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP claimed
JP-2004513108-A 2004-04-30 JP claimed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US claimed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 EP claimed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 WO claimed
US-8242103-B2 Sulphamides for treatment of cancer MERCK SHARP & DOHME LIMITED (GB) 2012-08-14 US disclosed
US-20090197904-A1 Sulphamides for Treatment of Cancer MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-08-06 US disclosed
EP-1885349-A2 SULPHAMIDES FOR TREATMENT OF CANCER Merck Sharp & Dohme Limited (GB) 2008-02-13 EP disclosed
WO-2006123185-A2 SULPHAMIDES FOR TREATMENT OF CANCER MERCK SHARP & DOHME LIMITED (GB) 2006-11-23 WO disclosed
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 US disclosed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP disclosed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US disclosed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 EP disclosed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 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 (2 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-20090197904-A1 Sulphamides for Treatment of Cancer SDHA, SDHB, BRDT DRD3 4328/4885KCNH2 2145/4885DRD2 3505/4885
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 DRD3 3789/4885KCNH2 4153/4885DRD2 3495/4885

“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.