SCHEMBL584598

SCHEMBL584598

OCCCc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
GPR84 Q9NQS5 1/20 0.45
NOTUM Q6P988 3/20 0.43
IGF1R P08069 2/20 0.41
ALOX15 P16050 2/20 0.41
TRPV1 Q8NER1 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39
IDO1 P14902 2/20 0.39
KIF11 P52732 1/20 0.39
KCNH2 Q12809 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
HSD11B1 P28845 1/20 0.36
PNMT P11086 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CA2 P00918 1/20 0.35
PHGDH O43175 1/20 0.35

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
SCHEMBL8443136 0.86 GPR84 (0.58) GPR84NOTUMIGF1RALOX15TRPV1
SCHEMBL29844250 0.82 KIF11 (0.51) DAONOTUMTRPV1IDO1KIF11
SCHEMBL2152251 0.82 KIF11 (0.51) DAONOTUMTRPV1IDO1KIF11
SCHEMBL79124 0.81 KIF11 (0.56) DAOGPR84NOTUMFFAR4KIF11
SCHEMBL3532064 0.79 GLA (0.42) DAOGPR84NOTUMIGF1RALOX15
SCHEMBL21540685 0.79 TAAR1 (0.60) DAOALOX15IDO1PNMTTAAR1
SCHEMBL16571747 0.79 DAO (0.52) DAOGPR84NOTUMTRPV1IDO1
SCHEMBL16770734 0.79 DAO (0.52) DAOGPR84NOTUMIDO1KCNH2
SCHEMBL81497 0.77 IGF1R (0.63) IGF1RALOX15TRPV1IDO1TMEM97
SCHEMBL81056 0.77 NR3C2 (0.47) GPR84FFAR4KIF11

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 DAO 910/4885GPR84 115/4885NOTUM 2493/4885

“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.