SCHEMBL5419352

SCHEMBL5419352

Nc1ccc(C(F)(F)C(F)(F)F)c(CN2CCN(C(=O)O)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
ACHE P22303 2/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
TDP1 Q9NUW8 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ATM Q13315 2/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 2/20 0.37
MAPT P10636 1/20 0.37
GPR183 P32249 2/20 0.37
FAAH O00519 1/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4972980 0.84 NR1H2 (0.46) NR1H2ALDH1A1KDM4EMAPTPOLB
SCHEMBL11889589 0.84 NR1H2 (0.46) NR1H2ALDH1A1KDM4EMAPTPOLB
SCHEMBL2708121 0.82 NR1H2 (0.67) NR1H2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL444670 0.82 NR1H2 (0.67) NR1H2ACHEALDH1A1KDM4ETDP1
SCHEMBL448255 0.79 NR1H2 (0.46) NR1H2ACHEALDH1A1KDM4EMEN1
SCHEMBL27999959 0.79 MGLL (0.52) NR1H2ACHEALDH1A1KDM4EMEN1
SCHEMBL18091636 0.75 KDM4E (0.44) NR1H2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27919727 0.75 GRIN2B (0.51) NR1H2ACHEALDH1A1KDM4EMEN1
SCHEMBL15847483 0.72 ALDH1A1 (0.54) NR1H2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23068663 0.71 NR1H2 (0.70) NR1H2ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS NR1H2 879/4885ACHE 1535/4885ALDH1A1 326/4885

“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.