SCHEMBL79337

SCHEMBL79337

FC1(F)Oc2ccc(C#CCOC3CCCCO3)cc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
RORC P51449 2/20 0.38
GCK P35557 1/20 0.36
DRD4 P21917 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
NAAA Q02083 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SMYD3 Q9H7B4 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PTAFR P25105 1/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL93066 0.77 SLC6A4 (0.41) DRD4MEN1KMT2AL3MBTL1KDM4C
SCHEMBL80213 0.77 GRM5 (0.44) GRM5RORCGCKDRD4MEN1
SCHEMBL5990774 0.77 GRM5 (0.44) GRM5RORCGCKMEN1KMT2A
SCHEMBL21058120 0.75 GRM5 (0.42) GRM5RORCGCKMEN1KMT2A
SCHEMBL22252667 0.75 GRM5 (0.42) GRM5RORCGCKMEN1KMT2A
SCHEMBL9763296 0.75 GRM5 (0.42) GRM5RORCGCKMEN1KMT2A
SCHEMBL81302 0.74 PTAFR (0.41) GRM5RORCGCKMEN1KMT2A
SCHEMBL25230426 0.74 GRM5 (0.46) GRM5RORCGCKMEN1KMT2A
SCHEMBL30421816 0.74 GRM5 (0.46) GRM5RORCGCKMEN1KMT2A
SCHEMBL6103762 0.73 GRM5 (0.42) GRM5RORCGCKMEN1KMT2A

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 6 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-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

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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C GRM5 1319/4885RORC 72/4885GCK 1538/4885

“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.