SCHEMBL81056

SCHEMBL81056

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.47
PTPN7 P35236 6/20 0.44
DUSP3 P51452 6/20 0.44
KIF11 P52732 1/20 0.44
FFAR4 Q5NUL3 2/20 0.43
USP28 Q96RU2 1/20 0.41
USP25 Q9UHP3 1/20 0.41
AR P10275 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
EPHX1 P07099 1/20 0.39
P2RX7 Q99572 2/20 0.37

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
SCHEMBL3637053 0.89 NR3C2 (0.49) NR3C2PTPN7DUSP3KIF11USP28
SCHEMBL79124 0.86 KIF11 (0.56) NR3C2KIF11FFAR4GPR84P2RX7
SCHEMBL297428 0.84 NR3C2 (0.48) NR3C2PTPN7DUSP3KIF11AR
SCHEMBL3532064 0.84 GLA (0.42) KIF11FFAR4GPR84
SCHEMBL78124 0.82 NR3C2 (0.44) NR3C2PTPN7DUSP3KIF11USP28
SCHEMBL10299813 0.81 KIF11 (0.58) NR3C2PTPN7DUSP3KIF11USP28
SCHEMBL29875866 0.81 KIF11 (0.58) NR3C2PTPN7DUSP3KIF11USP28
SCHEMBL93061 0.81 KIF11 (0.58) NR3C2PTPN7DUSP3KIF11USP28
SCHEMBL8443136 0.81 GPR84 (0.58) GPR84
SCHEMBL28292529 0.80 CYP1A2 (0.50) NR3C2PTPN7DUSP3FFAR4EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US 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
CN-101781162-A Method for preparing trifluoromethyl styrene compound SHANGHAI CHEMEXPLORER CO LTD 2010-07-21 CN disclosed
CN-101781161-A Method for preparing trifluoromethyl styrene compound SHANGHAI CHEMEXPLORER CO LTD 2010-07-21 CN disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
WO-2009156951-A2 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-30 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 (2 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 NR3C2 202/4885PTPN7 1575/4885DUSP3 4386/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C NR3C2 128/4885PTPN7 161/4885DUSP3 1348/4885

“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.