SCHEMBL584916

SCHEMBL584916

COC(=O)CCc1ccc(OC)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MITF O75030 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX5 P09917 1/20 0.50
OR51E2 Q9H255 1/20 0.50
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
CHRM4 P08173 1/20 0.48

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
SCHEMBL2432961 0.87 CYP4F2 (0.55) HTTKDM4EMITFALDH1A1LMNA
SCHEMBL30594197 0.87 CYP4F2 (0.55) HTTKDM4EMITFALDH1A1LMNA
SCHEMBL7847132 0.86 RAB9A (0.58) HTTKDM4EMITFALDH1A1ALOX5
SCHEMBL585819 0.86 FFAR4 (0.60) HTTKDM4EMITFALDH1A1LMNA
SCHEMBL3940302 0.85 KMT2A (0.59) KDM4EALDH1A1ALOX5OR51E2
Malonic Acid SCHEMBL8557894 0.85 FFAR1 (0.56) HTTKDM4EMITFALDH1A1ALOX5
SCHEMBL657509 0.85 KMT2A (0.50) ALOX5OR51E2
SCHEMBL14892303 0.84 HTT (0.54) HTTKDM4EMITFALDH1A1ALOX5
SCHEMBL1039522 0.84 HTT (0.51) HTTKDM4EMITFALDH1A1LMNA
SCHEMBL3683799 0.83 ALOX5 (0.51) ALDH1A1ALOX5OR51E2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188082-B2 5,6,7,8-tetrahydro-imidazo[1,5-α]pyrazine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-29 US disclosed
EP-2125823-B1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-15 US disclosed
EP-2125823-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008078291-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 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 (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-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES HCRTR1, HCRTR2, NPY5R HTT 1185/4885KDM4E 1260/4885MITF 1189/4885

“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.