SCHEMBL3491869

SCHEMBL3491869

O=C(O)c1nnn(-c2ccccc2)c1C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
TP53 P04637 3/20 0.47
ALOX12 P18054 1/20 0.47
SLC9A1 P19634 1/20 0.45
SLC9A2 Q9UBY0 1/20 0.45
KDM4E B2RXH2 1/20 0.43
DCTPP1 Q9H773 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
PTGS2 P35354 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL31755652 0.91 HTT (0.49) HTTKEAP1NFE2L2TP53ALOX12
SCHEMBL31755988 0.87 DCTPP1 (0.51) HTTKEAP1NFE2L2TP53ALOX12
SCHEMBL31755714 0.87 CA1 (0.49) HTTKEAP1NFE2L2TP53ALOX12
SCHEMBL30808851 0.84 HTT (0.41) HTTKEAP1NFE2L2TP53ALOX12
SCHEMBL30808870 0.82 HTT (0.50) HTTKEAP1NFE2L2TP53ALOX12
SCHEMBL31755653 0.82 TP53 (0.43) HTTKEAP1NFE2L2TP53ALOX12
SCHEMBL3463266 0.81 HTT (0.41) HTTKEAP1NFE2L2KDM4EALDH1A1
SCHEMBL31755915 0.80 NR3C2 (0.40) HTTKEAP1NFE2L2DCTPP1CA1
SCHEMBL31756152 0.77 CA1 (0.37) HTTKEAP1NFE2L2KDM4EDCTPP1
SCHEMBL31756042 0.77 TP53 (0.54) HTTKEAP1NFE2L2TP53ALOX12

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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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 (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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 HTT 3736/4885KEAP1 488/4885NFE2L2 1103/4885

“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.