SCHEMBL4178029

SCHEMBL4178029

NC(=O)CN1CCC(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.58
SIGMAR1 Q99720 2/20 0.57
DRD2 P14416 3/20 0.54
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 1/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
CCR5 P51681 1/20 0.49

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
SCHEMBL24652524 0.92 ALDH1A1 (0.57) SLC18A3SIGMAR1DRD2KMT2AALDH1A1
SCHEMBL3165125 0.92 ALDH1A1 (0.57) SLC18A3SIGMAR1DRD2KMT2AALDH1A1
SCHEMBL7202138 0.86 SLC18A3 (0.62) SLC18A3SIGMAR1DRD2DRD4DRD3
SCHEMBL519477 0.85 SLC18A3 (0.48) SLC18A3SIGMAR1DRD2DRD4DRD3
SCHEMBL23816922 0.85 SLC18A3 (0.60) SLC18A3SIGMAR1DRD2DRD4DRD3
SCHEMBL4706551 0.84 JAK2 (0.48) LMNA
SCHEMBL15549867 0.83 SLC18A3 (0.62) SLC18A3SIGMAR1DRD2DRD4DRD3
SCHEMBL4178026 0.83 SLC18A3 (0.58) SLC18A3SIGMAR1DRD2DRD4DRD3
SCHEMBL6968572 0.83 DRD2 (0.66) SLC18A3SIGMAR1DRD2KMT2AALDH1A1
SCHEMBL3436049 0.80 CYP2C19 (0.44) DRD4KMT2AALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760862-B1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2015-10-21 EP disclosed
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-04-04 US disclosed
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
EP-1268412-B8 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2007-02-21 EP disclosed
WO-2006123185-A2 SULPHAMIDES FOR TREATMENT OF CANCER MERCK SHARP & DOHME LIMITED (GB) 2006-11-23 WO disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP 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
EP-1268412-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 2003-01-02 EP disclosed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 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 (4 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 SLC18A3 3352/4885SIGMAR1 2179/4885DRD2 3505/4885
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP4K2 SLC18A3 4674/4885SIGMAR1 3169/4885DRD2 3604/4885
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 SLC18A3 1032/4885SIGMAR1 2887/4885DRD2 3495/4885
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 SLC18A3 1292/4885SIGMAR1 3553/4885DRD2 3508/4885

“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.