SCHEMBL80635

SCHEMBL80635

OCCCc1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
DAO P14920 2/20 0.42
CA2 P00918 2/20 0.41
TRPV3 Q8NET8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
BCHE P06276 2/20 0.39
CYP4A11 Q02928 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX5 P09917 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
BACE1 P56817 1/20 0.39
ACHE P22303 1/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 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
SCHEMBL2956903 0.92 BCHE (0.47) HTTDAOCA2IGF1RALOX15
SCHEMBL1238835 0.86 ALDH1A1 (0.52) HTTDAOCA2TRPV3ALDH1A1
SCHEMBL30986331 0.86 ALDH1A1 (0.52) HTTDAOCA2TRPV3ALDH1A1
SCHEMBL21357572 0.83 ALOX15 (0.52) CA2ALDH1A1IGF1RALOX15BCHE
SCHEMBL3169333 0.83 ALOX15 (0.52) ALDH1A1IGF1RALOX15BCHEKDM4E
SCHEMBL25359980 0.82 CYP1A2 (0.50) CA2ALDH1A1IGF1RALOX15BCHE
SCHEMBL1568422 0.82 IGF1R (0.44) CA2IGF1RALOX15BCHECYP4A11
SCHEMBL17295280 0.82 CA2 (0.42) HTTCA2ALDH1A1IGF1RALOX15
SCHEMBL81865 0.82 SLC6A2 (0.46) DAOCA2IGF1RALOX15BCHE
SCHEMBL586296 0.82 DAO (0.46) DAOCA2ALDH1A1IGF1RALOX15

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 24 patents — showing the first 20. 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
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-103508899-B Method for preparing ticagrelor key intermediate and racemate thereof and special intermediate for implementing method KAIYUAN HENGTAI PHARMA CO LTD 2015-05-27 CN disclosed
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 CN disclosed
CN-103508899-A Method for preparing ticagrelor key intermediate and racemate thereof and special intermediate for implementing method KAIYUAN HENGTAI PHARMACEUTICAL CO LTD 2014-01-15 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
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-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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
EP-1173170-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-1173170-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-23 EP disclosed
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000059503-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed
WO-1999048530-A1 COMBINATION THERAPY FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. (US) 1999-09-30 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 (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 1185/4885DAO 910/4885CA2 672/4885

“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.