SCHEMBL585296

SCHEMBL585296

O=CCCc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.54
▸ DAO P14920 4/20 0.51
▸ PDE2A O00408 3/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ SLC6A4 P31645 3/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL8226170 0.86 IDO1 (0.54) IDO1DAOPDE2AGAATAAR1
SCHEMBL1426705 0.82 IDO1 (0.53) IDO1DAOPDE2AFFAR1GAA
SCHEMBL3632101 0.80 IDO1 (0.54) IDO1DAOPDE2AFFAR1SLC6A4
SCHEMBL27634838 0.80 IDO1 (0.58) IDO1DAOPDE2AFFAR1GAA
SCHEMBL14082696 0.79 CES2 (0.43) IDO1DAO
SCHEMBL895534 0.78 IDO1 (0.50) IDO1DAO
SCHEMBL5426147 0.78 IDO1 (0.61) IDO1DAOPDE2ASLC6A4SLC6A2
SCHEMBL23886964 0.78 MEN1 (0.46) IDO1
SCHEMBL18586803 0.78 IDO1 (0.38) IDO1DAOTAAR1
SCHEMBL6025265 0.78 IDO1 (0.49) IDO1DAOPDE2AGAASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101568542-B 5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine derivatives ACTELION PHARMACEUTICALS LTD 2013-03-27 — — CN disclosed
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
CN-102076694-A 5, 6, 7, 8-tetrahydro-imidazo[1, 5-a]pyrazine compounds ACTELION PHARMACEUTICALS LTD 2011-05-25 — — CN disclosed
US-20110105514-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 — — US disclosed
EP-2307417-A2 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-04-13 — — EP disclosed
EP-2013209-B1 PYRAZOLO-TETRAHYDROPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-19 — — EP disclosed
US-7834028-B2 insomnia or eating disorders such as anorexia; 2-{1-Ethyl-4-[2-(2-fluoro-5-trifluoromethyl-phenyl)-ethyl]-3-methyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl}-N-methyl-2-phenyl-acetamide for example ACTELION PHARMACEUTICALS LTD. (CH) 2010-11-16 — — US disclosed
US-7834028-B2 insomnia or eating disorders such as anorexia; 2-{1-Ethyl-4-[2-(2-fluoro-5-trifluoromethyl-phenyl)-ethyl]-3-methyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl}-N-methyl-2-phenyl-acetamide for example ACTELION PHARMACEUTICALS LTD. (CH) 2010-11-16 — — US disclosed
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-15 — — US disclosed
WO-2009156951-A2 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-30 — — WO disclosed
EP-2125823-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 — — EP disclosed
CN-101568542-A 5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-28 — — CN disclosed
US-20090099228-A1 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-16 — — US disclosed
US-20090099228-A1 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-16 — — US disclosed
WO-2008078291-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 — — WO disclosed
WO-2007122591-A2 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-11-01 — — 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 (3 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-20110105514-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE COMPOUNDS HCRTR1, HCRTR2, NPY5R IDO1 441/4885DAO 2238/4885PDE2A 2427/4885
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES HCRTR1, HCRTR2, NPY5R IDO1 604/4885DAO 910/4885PDE2A 3030/4885
US-20090099228-A1 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR IDO1 832/4885DAO 935/4885PDE2A 2890/4885

“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.

Send feedback