SCHEMBL2404063

SCHEMBL2404063

CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.69
CA2 P00918 1/20 0.69
CA9 Q16790 1/20 0.69
AKR1C3 P42330 1/20 0.66
CASP6 P55212 1/20 0.63
GFER P55789 1/20 0.63
ME2 P23368 1/20 0.58
ME1 P48163 1/20 0.58
ME3 Q16798 1/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
USP2 O75604 1/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
FPR2 P25090 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL27664248 0.86 AKR1C3 (0.85) CA12CA2CA9AKR1C3ME2
SCHEMBL270845 0.85 MAPT (0.74) CA12CA2CA9CASP6GFER
SCHEMBL1458650 0.85 CA12 (0.71) CA12CA2CA9AKR1C3ME2
SCHEMBL14020486 0.84 CA12 (0.66) CA12CA2CA9AKR1C3ME2
SCHEMBL18701877 0.84 CA12 (0.66) CA12CA2CA9AKR1C3ME2
SCHEMBL5542076 0.83 CA12 (0.69) CA12CA2CA9AKR1C3ME2
SCHEMBL30807959 0.83 CA12 (0.69) CA12CA2CA9AKR1C3ME2
SCHEMBL25787372 0.83 ME2 (0.65) CA12CA2CA9AKR1C3ME2
SCHEMBL28650484 0.82 CA12 (0.65) CA12CA2CA9AKR1C3ME2
SCHEMBL13923614 0.81 LMNA (0.67) MAPTMEN1KMT2AMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
WO-2013060860-A1 N-ACYL-N'-PHENYLPIPERAZINE DERIVATIVES AS SRBP MODULATORS FOR USE IN THE TREATMENT OF DIABETES AND OBESITY NATIONAL UNIVERSITY OF IRELAND, MAYNOOTH (IE) 2013-05-02 WO disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO 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 (2 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR CA12 2796/4885CA2 1877/4885CA9 2824/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR CA12 4578/4885CA2 3943/4885CA9 4263/4885

“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.