SCHEMBL546987

SCHEMBL546987

N#CC(=C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
SLC6A12 P48065 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
MCHR1 Q99705 1/20 0.48
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL5553255 0.90 KMT2A (0.54) MEN1KMT2ASIGMAR1KDM4E
SCHEMBL5395547 0.87 ALDH1A1 (0.56) MEN1KMT2ASIGMAR1MCHR1KDM4E
SCHEMBL10967640 0.87 LMNA (0.55) MEN1KMT2ASIGMAR1
SCHEMBL13962943 0.86 MEN1 (0.46) MEN1KMT2ASIGMAR1MCHR1KDM4E
SCHEMBL13962921 0.83 MEN1 (0.46) MEN1KMT2ASIGMAR1KDM4EHTT
SCHEMBL7292577 0.82 OPRM1 (0.57) SIGMAR1SLC6A12TMEM97MCHR1KDM4E
SCHEMBL13962938 0.82 MEN1 (0.56) MEN1KMT2AKDM4E
SCHEMBL13962874 0.80 SIGMAR1 (0.54) MEN1KMT2ASIGMAR1KDM4EHTT
SCHEMBL13962841 0.79 CHRM2 (0.51) MEN1KMT2ASIGMAR1KDM4EHTT
SCHEMBL10967944 0.75 HTT (0.54) MEN1KMT2ASIGMAR1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110684-B2 Diaza-spiro [4.5] decanes useful as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 US disclosed
US-20100227862-A1 DIAZA-SPIRO [4.5] DECANES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-09-09 US disclosed
EP-1979354-B1 DIAZA-SPIRO-[4, 5]-DECANES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-11-11 EP disclosed
EP-1979354-A1 DIAZA-SPIRO-[4, 5]-DECANES USEFUL AS PESTICIDES Syngeta Participations AG (CH) 2008-10-15 EP disclosed
WO-2007085945-A1 DIAZA-SPIRO [4 . 5] DECANES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-08-02 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-20100227862-A1 DIAZA-SPIRO [4.5] DECANES USEFUL AS PESTICIDES DDT, CHRM1, DECR1 MEN1 2349/4885KMT2A 1619/4885SIGMAR1 45/4885

“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.