SCHEMBL80199

SCHEMBL80199

C(#Cc1csc2ccccc12)COC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
GRM5 P41594 1/20 0.36
CHRNA7 P36544 1/20 0.33
RORC P51449 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GCK P35557 1/20 0.32
SLC6A4 P31645 2/20 0.32
DRD2 P14416 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL5247476 0.78 KDM4C (0.39) KDM4CGRM5RORCMEN1KMT2A
SCHEMBL93028 0.77 CYP2A6 (0.43) KDM4CCHRNA7KMT2ACRHBPCRHR2
SCHEMBL80198 0.74 KDM4C (0.43) KDM4CGRM5CHRNA7RORCMEN1
SCHEMBL18465036 0.74 GRM5 (0.39) KDM4CGRM5RORCMEN1KMT2A
SCHEMBL80945 0.73 KDM4C (0.46) KDM4CCHRNA7MEN1KMT2ACRHBP
SCHEMBL31419836 0.72 HTR2A (0.45) KDM4CGRM5RORCMEN1KMT2A
SCHEMBL30740345 0.71 GRM5 (0.46) KDM4CGRM5RORCMEN1KMT2A
SCHEMBL18196418 0.71 KDM4C (0.39) KDM4CGRM5RORCMEN1KMT2A
SCHEMBL18188279 0.71 KDM4C (0.39) KDM4CGRM5RORCMEN1KMT2A
SCHEMBL10576592 0.70 MEN1 (0.38) KDM4CGRM5MEN1KMT2AL3MBTL1

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 KDM4C 1969/4885GRM5 1319/4885CHRNA7 786/4885

“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.