SCHEMBL269136

SCHEMBL269136

CC(C)(C)C(=O)c1ccc2nc(C(C)(C)C(F)(F)F)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 2/20 0.35
SCN9A Q15858 1/20 0.33
HSD17B14 Q9BPX1 2/20 0.33
MGLL Q99685 1/20 0.32
GABBR2 O75899 4/20 0.32
GABBR1 Q9UBS5 4/20 0.32
HTT P42858 2/20 0.32
ALOX15 P16050 1/20 0.32
PLK1 P53350 1/20 0.32
GABRB1 P18505 2/20 0.32
GABRB2 P47870 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CA2 P00918 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
SCHEMBL538229 0.87 TDP1 (0.44) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL269348 0.85 MEN1 (0.41) MEN1KMT2AACHEHSD17B14HTT
SCHEMBL265399 0.83 HTT (0.51) MEN1KMT2AHTTALOX15ALDH1A1
SCHEMBL283862 0.83 SMN1; SMN2 (0.37) MEN1KMT2ASCN9AHTTALDH1A1
SCHEMBL269267 0.76 PTPN1 (0.44) ACHEGABBR2GABBR1GABRB1GABRB2
SCHEMBL4149851 0.76 BACE1 (0.50)
SCHEMBL264448 0.75 TDP1 (0.44) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL16167680 0.75 NCF1 (0.43) MEN1KMT2AHTTALOX15PLK1
SCHEMBL263494 0.74 BACE1 (0.47) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL16722810 0.74 CES2 (0.46) MEN1KMT2AGABBR2GABBR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 MEN1 4051/4885KMT2A 4132/4885ACHE 1793/4885

“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.