SCHEMBL81084

SCHEMBL81084

CCc1cccc(C#CCOC2CCCCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
RORC P51449 2/20 0.39
GCK P35557 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
DRD2 P14416 1/20 0.38
PTAFR P25105 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
HRH3 Q9Y5N1 5/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DHFR P00374 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 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
SCHEMBL25230426 0.83 GRM5 (0.46) GRM5RORCGCKHTR2AHTR2C
SCHEMBL30421816 0.83 GRM5 (0.46) GRM5RORCGCKHTR2AHTR2C
SCHEMBL81249 0.82 GRM5 (0.45) GRM5RORCGCKHTR2AHTR2C
SCHEMBL92943 0.78 KDM4C (0.41) KDM4CMEN1KMT2ADHFRNPC1
SCHEMBL31419836 0.78 HTR2A (0.45) GRM5RORCGCKHTR2AHTR2C
SCHEMBL80213 0.76 GRM5 (0.44) GRM5RORCGCKSIGMAR1PTAFR
SCHEMBL2767720 0.76 KDM4C (0.39) GRM5RORCPTAFRKDM4CMEN1
SCHEMBL22576701 0.76 KDM4C (0.41) GRM5RORCGCKKDM4CMEN1
SCHEMBL81302 0.76 PTAFR (0.41) GRM5RORCGCKPTAFRKDM4C
SCHEMBL22252667 0.75 GRM5 (0.42) GRM5RORCGCKHTR2AHTR2C

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 8 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
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
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.