SCHEMBL2382273

SCHEMBL2382273

c1cnn(C2CCCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
ELOVL1 Q9BW60 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CYP2D6 P10635 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
USP9X Q93008 1/20 0.34
NOS1 P29475 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ACHE P22303 3/20 0.32
ALDH1A1 P00352 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
TRPC3 Q13507 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
FFAR2 O15552 1/20 0.31

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
SCHEMBL3434555 1.00 EPHX2 (0.38) EPHX2ELOVL1HCAR2CYP2D6HRH1
SCHEMBL574344 0.98 EPHX2 (0.38) EPHX2ELOVL1HCAR2CYP2D6HRH1
SCHEMBL13890730 0.93
SCHEMBL57030 0.88
Hydrochloric Acid SCHEMBL28314935 0.86
Ether SCHEMBL2398678 0.86 ELOVL1 (0.33) EPHX2ELOVL1HCAR2CYP2D6HRH1
SCHEMBL14704914 0.81 MEN1 (0.38) EPHX2ELOVL1HCAR2CYP2D6HRH1
SCHEMBL1455913 0.80 EPHX2 (0.37) EPHX2ELOVL1HCAR2CYP2D6HRH1
SCHEMBL30206149 0.79 EPHX2 (0.37) EPHX2ELOVL1HCAR2CYP2D6HRH1
SCHEMBL2731895 0.79 HTR6 (0.38) EPHX2ELOVL1HCAR2JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550254-A1 CYCLOPENTYL - AND CYCLOHEPTYLPYRAZOLES AS FXR MODULATORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
EP-2550254-A1 CYCLOPENTYL - AND CYCLOHEPTYLPYRAZOLES AS FXR MODULATORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
CN-102791695-A Cyclopentyl-and cycloheptylpyrazoles as FXR modulators HOFFMANN LA ROCHE 2012-11-21 CN disclosed
CN-102791695-A Cyclopentyl-and cycloheptylpyrazoles as FXR modulators HOFFMANN LA ROCHE 2012-11-21 CN disclosed
US-8252826-B2 Cyclopentyl- and cycloheptylpyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-08-28 US disclosed
US-8252826-B2 Cyclopentyl- and cycloheptylpyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-08-28 US disclosed
US-8252826-B2 Cyclopentyl- and cycloheptylpyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-08-28 US disclosed
US-20110237628-A1 CYCLOPENTYL- AND CYCLOHEPTYLPYRAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 US disclosed
US-20110237628-A1 CYCLOPENTYL- AND CYCLOHEPTYLPYRAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 US disclosed
WO-2011117163-A1 CYCLOPENTYL - AND CYCLOHEPTYLPYRAZOLES AS FXR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
WO-2011117163-A1 CYCLOPENTYL - AND CYCLOHEPTYLPYRAZOLES AS FXR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-6083969-A 2,3-DIARYLPYRAZOLES FUSED WITH CYCLOALKANES AND CYCLOALKENES, USED AS CYCLOOXYGENASE-2 (COX-2) INHIBITOR ORTHO-MCNEIL PHARACEUTICAL, INC. (US) 2000-07-04 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 (1 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-20110237628-A1 CYCLOPENTYL- AND CYCLOHEPTYLPYRAZOLES CYP1B1, CYP1A1, CYP4F3 EPHX2 716/4885ELOVL1 3394/4885HCAR2 788/4885

“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.