SCHEMBL81791

SCHEMBL81791

Fc1ccc(CCCBr)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
DAO P14920 1/20 0.44
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2A P28223 7/20 0.41
HTR2C P28335 7/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
KCNH2 Q12809 4/20 0.38
DRD2 P14416 1/20 0.38
MAOB P27338 1/20 0.38
MPO P05164 2/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GRM2 Q14416 1/20 0.36

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
SCHEMBL29886684 1.00 IDO1 (0.47) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL17858489 0.94 IDO1 (0.46) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL18007006 0.92 IDO1 (0.44) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL2765682 0.87 IDO1 (0.50) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL29447941 0.87 IDO1 (0.50) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL1121847 0.87 IDO1 (0.50) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL4610599 0.83 DPP4 (0.41) IDO1AGXTSIRT2MPO
SCHEMBL7700904 0.82 IDO1 (0.58) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL6193002 0.81 MPO (0.54) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL29745090 0.81 MPO (0.54) IDO1AGXTDAOKDM4ESMN1; SMN2

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 14 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
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 CN 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-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
CN-101730677-A Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-06-09 CN 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
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 US disclosed
US-20040147529-A1 Preferentially substituted calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2004-07-29 US 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-20040147529-A1 Preferentially substituted calcium channel blockers CACNA1B, CACNA1C, CACNA1D IDO1 4331/4885AGXT 4810/4885DAO 3329/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C IDO1 5/4885AGXT 456/4885DAO 755/4885

“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.