SCHEMBL5336736

SCHEMBL5336736

CN1CCN(c2ccc(Cl)c(C(=O)O)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.54
HTR3E A5X5Y0 4/20 0.54
HTR3B O95264 4/20 0.54
HTR3D Q70Z44 4/20 0.54
HTR3C Q8WXA8 4/20 0.54
MEN1 O00255 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HRH4 Q9H3N8 4/20 0.48
PARP1 P09874 1/20 0.47
HRH3 Q9Y5N1 3/20 0.45
CYP1A2 P05177 1/20 0.45
THPO P40225 1/20 0.45
MALT1 Q9UDY8 1/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 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
Potassium Ion SCHEMBL5333589 0.85 HTR3A (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL14558284 0.82 MEN1 (0.48) MEN1CYP2C9CYP2C19KMT2AHSD17B10
SCHEMBL20854390 0.82 KDM4E (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL31078751 0.82 HSD17B14 (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5338538 0.82 ALDH1A1 (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL21246782 0.74 HTR3A (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9317415 0.73 PRKAB2 (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2638000 0.72 HTR3A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL15651358 0.71 PARP1 (0.50) MEN1CYP2C19KMT2AHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL3466386 0.71 HTR3A (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C

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-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 HTR3A 2381/4885HTR3E 2713/4885HTR3B 2636/4885
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 HTR3A 2381/4885HTR3E 2713/4885HTR3B 2636/4885

“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.