SCHEMBL586317

SCHEMBL586317

OCCOc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.45
DUSP3 P51452 1/20 0.45
PDK2 Q15119 2/20 0.44
S1PR1 P21453 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
FFAR4 Q5NUL3 3/20 0.41
FFAR1 O14842 2/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIF11 P52732 1/20 0.39
NR1I2 O75469 1/20 0.39
KMO O15229 2/20 0.38
USP28 Q96RU2 1/20 0.38

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
SCHEMBL19541468 0.85 CYP3A4 (0.45) PTPN7DUSP3PDK2ALDH1A1RECQL
SCHEMBL4370472 0.84 PDK2 (0.44) PTPN7DUSP3PDK2HTR2ASLC6A4
SCHEMBL16028623 0.81 GPR84 (0.53) PDK2S1PR1ALDH1A1RECQLFFAR4
SCHEMBL5461057 0.81 PDK2 (0.43) PDK2S1PR1ALDH1A1RECQLFFAR4
SCHEMBL2025537 0.81 PDK2 (0.43) PDK2S1PR1ALDH1A1RECQLFFAR4
SCHEMBL10774625 0.80 PDK2 (0.50) PTPN7DUSP3PDK2FFAR4FFAR1
SCHEMBL21490294 0.80 MAOB (0.49) PDK2ALDH1A1RECQLFFAR4FFAR1
SCHEMBL30368255 0.80 MAOB (0.49) PDK2ALDH1A1RECQLFFAR4FFAR1
SCHEMBL31540270 0.79 THRA (0.55) PTPN7DUSP3PDK2HTR2ACYP3A4
SCHEMBL5194485 0.79 THRA (0.49) PDK2S1PR1ALDH1A1RECQLFFAR4

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 PTPN7 1929/4885DUSP3 3468/4885PDK2 2786/4885

“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.