SCHEMBL81697

SCHEMBL81697

OCCCc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
MRGPRX4 Q96LA9 2/20 0.46
PDE2A O00408 1/20 0.44
TRPV1 Q8NER1 1/20 0.40
CTSK P43235 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
FFAR1 O14842 1/20 0.38
MC4R P32245 1/20 0.38
NOTUM Q6P988 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL80680 0.86 TRPV1 (0.42) DAOPDE2ATRPV1KCNH2ALDH1A1
SCHEMBL80853 0.83 DAO (0.50) DAOMRGPRX4PDE2AKCNH2ALDH1A1
SCHEMBL30523915 0.82 PDE2A (0.49) DAOMRGPRX4PDE2AKCNH2ALDH1A1
SCHEMBL92913 0.82 PDE2A (0.49) DAOMRGPRX4PDE2AKCNH2ALDH1A1
SCHEMBL12226958 0.81 DAO (0.49) DAOMRGPRX4PDE2ACTSKKCNH2
SCHEMBL3902853 0.81 DAO (0.49) DAOTRPV1CTSKKCNH2FFAR4
SCHEMBL584278 0.81 IDO1 (0.51) DAOPDE2ACTSKKCNH2GAA
SCHEMBL5503714 0.80 SLC6A2 (0.41) DAOCTSKKCNH2MAPTLMNA
SCHEMBL1570121 0.79 DAO (0.52) DAOMRGPRX4PDE2AKCNH2ALDH1A1
SCHEMBL5426897 0.79 DAO (0.52) DAOMRGPRX4PDE2AKCNH2ALDH1A1

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
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-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
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 DAO 755/4885MRGPRX4 92/4885PDE2A 271/4885

“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.