SCHEMBL4185437

SCHEMBL4185437

COc1ccccc1C1CCN(CC(N)=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.63
MEN1 O00255 11/20 0.61
KMT2A Q03164 11/20 0.61
DRD4 P21917 2/20 0.60
ATM Q13315 1/20 0.53
MAPK1 P28482 1/20 0.52
CHRM4 P08173 1/20 0.51
HTR7 P34969 1/20 0.50
GRM2 Q14416 1/20 0.50

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
SCHEMBL4185434 0.86 DRD2 (0.63) DRD2MEN1KMT2ADRD4ATM
SCHEMBL14207951 0.84 DRD4 (0.67) DRD2MEN1KMT2ADRD4ATM
SCHEMBL521024 0.83 DRD4 (0.49) DRD2MEN1KMT2ADRD4MAPK1
SCHEMBL3436370 0.82 DRD4 (0.59) DRD2DRD4
SCHEMBL14412952 0.82 MEN1 (0.71) DRD2MEN1KMT2ADRD4CHRM4
SCHEMBL3436049 0.80 CYP2C19 (0.44) MEN1KMT2ADRD4
SCHEMBL8304330 0.80 DRD2 (0.78) DRD2MEN1KMT2ADRD4ATM
SCHEMBL20419231 0.80 MEN1 (0.65) DRD2MEN1KMT2ADRD4CHRM4
SCHEMBL27597066 0.79 CYP2C9 (0.50) MEN1KMT2A
Hydrochloric Acid SCHEMBL2078695 0.79 CYP2C19 (0.43) MEN1KMT2ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 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
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 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 (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-20090197904-A1 Sulphamides for Treatment of Cancer SDHA, SDHB, BRDT DRD2 3505/4885MEN1 2838/4885KMT2A 752/4885
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 DRD2 3495/4885MEN1 3641/4885KMT2A 2977/4885
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 DRD2 3508/4885MEN1 4589/4885KMT2A 2642/4885

“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.