SCHEMBL5337053

SCHEMBL5337053

CN1CCN(c2ccc(Cl)c(C(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.48
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 3/20 0.44
HTR6 P50406 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
WDR5 P61964 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
PTK2B Q14289 1/20 0.41
CSF1R P07333 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1337013 0.84 MAPT (0.55) SIRT6MAPTSMN1; SMN2RAB9AHTR6
SCHEMBL589358 0.82 KDM4E (0.51) SIRT6MAPTSMN1; SMN2RAB9AHTR6
SCHEMBL13033437 0.82 MAPK1 (0.59) SIRT6MAPTRAB9AHTR6TSHR
SCHEMBL5340834 0.80 TDP1 (0.56) SIRT6MAPTSMN1; SMN2RAB9AHTR6
SCHEMBL1481913 0.80 RAB9A (0.53) SIRT6MAPTSMN1; SMN2RAB9ATSHR
SCHEMBL1334925 0.80 SIRT6 (0.76) SIRT6MAPTHTR6LMNAMAPK1
SCHEMBL1786156 0.79 MAPT (0.54) SIRT6MAPTSMN1; SMN2RAB9ATSHR
SCHEMBL23032404 0.79 MAPT (0.48) SIRT6MAPTSMN1; SMN2RAB9AHTR6
SCHEMBL30595778 0.79 MAPT (0.48) SIRT6MAPTSMN1; SMN2RAB9AHTR6
SCHEMBL591950 0.78 SIRT6 (0.62) SIRT6MAPTHTR6LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation BERGMANIS ARIJA A 2005-11-17 US disclosed
US-6956052-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2005-10-18 US disclosed
EP-1501805-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2005-02-02 EP disclosed
EP-1444207-A2 SUBSTITUTED PYRAZOLYL-COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP disclosed
US-20040110741-A1 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORARTION 2004-06-10 US disclosed
WO-2003095430-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-11-20 WO disclosed
WO-2003024935-A2 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 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 (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-20040110741-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 SIRT6 844/4885MAPT 2496/4885SMN1; SMN2 4442/4885
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 SIRT6 844/4885MAPT 2496/4885SMN1; SMN2 4442/4885

“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.