SCHEMBL3575629

SCHEMBL3575629

[2H]c1cc(OC(F)(F)F)ccc1C1([2H])C(=O)N([2H])C2(N1[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H]

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
GPR174 Q9BXC1 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL949439 0.88
SCHEMBL4229152 0.85 PIM1 (0.32) PIM1PIM2KDM1ARCOR1GPR174
SCHEMBL4597955 0.78 DDB1 (0.40)
SCHEMBL4519196 0.70 DDB1 (0.37)
SCHEMBL4229295 0.62 PIM1 (0.38) PIM1PIM2
SCHEMBL949438 0.58 SLC6A4 (0.40) PIM1PIM2KDM1ARCOR1GPR174
SCHEMBL31579405 0.57 KDM1A (0.40) PIM1PIM2KDM1ARCOR1GPR174
SCHEMBL31579709 0.57 MMP2 (0.48) PIM1PIM2KDM1ARCOR1GPR174
SCHEMBL4564168 0.55 L3MBTL1 (0.47) KDM1ARCOR1L3MBTL1
SCHEMBL254957 0.55 MAPT (0.56) PIM1PIM2L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029700-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-04 US 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-20100029700-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS SLC1A1, SLC1A5, SLC6A5 PIM1 3819/4885PIM2 3916/4885KDM1A 2542/4885

“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.