SCHEMBL81971

SCHEMBL81971

Cc1ccc(F)c(C#CCOC2CCCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.36
GCK P35557 1/20 0.35
RORC P51449 2/20 0.35
KDM4C Q9H3R0 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
P2RX3 P56373 3/20 0.33
IDO1 P14902 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD4 P21917 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL8284426 0.83 GRM5 (0.37) GRM5L3MBTL1GCKRORCKDM4C
SCHEMBL80213 0.81 GRM5 (0.44) GRM5L3MBTL1GCKRORCKDM4C
SCHEMBL19915622 0.81 GRM5 (0.37) GRM5L3MBTL1GCKRORCKDM4C
SCHEMBL16118255 0.77 IDO1 (0.32) IDO1
SCHEMBL92936 0.76 L3MBTL1 (0.40) L3MBTL1KDM4CNPC1RAB9AP2RX3
SCHEMBL18196418 0.74 KDM4C (0.39) GRM5L3MBTL1GCKRORCKDM4C
SCHEMBL5990774 0.74 GRM5 (0.44) GRM5L3MBTL1GCKRORCKDM4C
SCHEMBL20110651 0.73 GRM5 (0.36) GRM5L3MBTL1GCKRORCKDM4C
SCHEMBL79915 0.72 L3MBTL1 (0.44) L3MBTL1KDM4CNPC1RAB9AP2RX3
SCHEMBL81302 0.71 PTAFR (0.41) GRM5GCKRORCKDM4CNPC1

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 1319/4885L3MBTL1 2206/4885GCK 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.