SCHEMBL81934

SCHEMBL81934

Cc1cccc(CCCOc2ccc(C#CC3(NC(=O)OC(C)(C)C)COC(C)(C)OC3)cc2C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.35
LPAR1 Q92633 3/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.32
GRM5 P41594 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
NSD2 O96028 1/20 0.31
RET P07949 1/20 0.31
IMPDH2 P12268 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
SCHEMBL79070 0.93 SIGMAR1 (0.35) AAK1NSD2
SCHEMBL79059 0.90 ALDH1A1 (0.35) AAK1
SCHEMBL2467358 0.85 ALDH1A1 (0.45) AAK1
SCHEMBL2468973 0.85 ALDH1A1 (0.45) AAK1
SCHEMBL80341 0.84 AAK1 (0.36) AAK1LPAR1MAPTATMPOLB
SCHEMBL82221 0.77 S1PR1 (0.37) AAK1NSD2
SCHEMBL79759 0.75 S1PR1 (0.37) AAK1
SCHEMBL80104 0.73 S1PR1 (0.35) AAK1LPAR1MAPTATMPOLB
SCHEMBL81538 0.72 ACACB (0.35)
SCHEMBL566445 0.72 DDB1 (0.36) MAPTGRM5CYP3A4CYP2C19

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 4 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-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 AAK1 2926/4885LPAR1 1403/4885MAPT 2801/4885

“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.