SCHEMBL80680

SCHEMBL80680

OCCCc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
NOTUM Q6P988 2/20 0.40
PDE2A O00408 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
KCNH2 Q12809 3/20 0.39
HTR2A P28223 1/20 0.39
DAO P14920 1/20 0.38
ABL1 P00519 1/20 0.37
TMEM97 Q5BJF2 2/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL81697 0.86 DAO (0.50) TRPV1NOTUMPDE2AALDH1A1HDAC1
SCHEMBL894411 0.83 TAAR1 (0.43) PDE2AALDH1A1HDAC1HDAC8FFAR4
SCHEMBL3105504 0.83 GABRA2 (0.43) PDE2AALDH1A1FFAR4SLC6A4SLC6A2
SCHEMBL80803 0.83 SIRT2 (0.42) PDE2AALDH1A1HDAC1HDAC8FFAR4
SCHEMBL92949 0.82 PDE2A (0.44) PDE2AALDH1A1HDAC1HDAC8FFAR4
SCHEMBL3322996 0.81 SLC6A4 (0.39) PDE2AALDH1A1HDAC1HDAC8FFAR4
SCHEMBL18586253 0.79 CTSK (0.36) HDAC1HDAC8KCNH2DAOMEN1
SCHEMBL25090457 0.79 SLC6A4 (0.41) PDE2AALDH1A1FFAR4SLC6A4SLC6A2
SCHEMBL14016062 0.79 PDE2A (0.42) PDE2AALDH1A1HDAC1HDAC8FFAR4
SCHEMBL25090301 0.79 SLC6A4 (0.41) PDE2AALDH1A1SLC6A4SLC6A2KCNJ5

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 TRPV1 357/4885NOTUM 426/4885PDE2A 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.