SCHEMBL80213

SCHEMBL80213

Cc1cc(C#CCOC2CCCCO2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.44
RORC P51449 2/20 0.41
GCK P35557 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
P2RX3 P56373 2/20 0.33
PTAFR P25105 1/20 0.33
PDPK1 O15530 2/20 0.33
DRD4 P21917 3/20 0.32
TMEM97 Q5BJF2 3/20 0.32
SIGMAR1 Q99720 3/20 0.32

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
SCHEMBL81302 0.86 PTAFR (0.41) GRM5RORCGCKMEN1KMT2A
SCHEMBL5990774 0.83 GRM5 (0.44) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL81971 0.81 GRM5 (0.41) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL9763296 0.80 GRM5 (0.42) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL22252667 0.77 GRM5 (0.42) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL21058120 0.77 GRM5 (0.42) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL79337 0.77 GRM5 (0.41) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL31558454 0.77 GRM5 (0.44) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL81084 0.76 GRM5 (0.44) GRM5RORCGCKMEN1KMT2A
SCHEMBL92906 0.76 DRD4 (0.47) L3MBTL1MEN1KMT2AKDM4CNPC1

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.