SCHEMBL13499337

SCHEMBL13499337

N#Cc1ccc(-n2cnn(C3CCN(CCOc4ccccc4)CC3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.47
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
KCNH2 Q12809 1/20 0.45
MEN1 O00255 12/20 0.45
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
LTA4H P09960 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13499365 0.89 HTR1A (0.50) CHRM1DRD2KCNH2CHRM2CHRM3
SCHEMBL13499351 0.87 LTA4H (0.46) CHRM1DRD2KCNH2CHRM2CHRM3
SCHEMBL13499465 0.85 MAPT (0.48) KCNA5CHRM1DRD2KCNH2HRH1
SCHEMBL13499343 0.82 LTA4H (0.46) KCNA5CHRM1DRD2KCNH2CHRM2
SCHEMBL13499249 0.78 TSHR (0.45) MEN1KMT2A
SCHEMBL13499247 0.74 CYP11B2 (0.43) MEN1HRH3KMT2A
SCHEMBL13499460 0.73 TMEM97 (0.45) CHRM1DRD2KCNH2CHRM2CHRM3
SCHEMBL13499258 0.73 HTR1A (0.48) CHRM1DRD2KCNH2CHRM2CHRM3
SCHEMBL13499369 0.73 HTR1A (0.48) CHRM1DRD2KCNH2CHRM2CHRM3
SCHEMBL13499259 0.73 TMEM97 (0.47) CHRM1DRD2KCNH2CHRM2CHRM3

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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 US disclosed
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 KCNA5 991/4885CHRM1 46/4885DRD2 42/4885

“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.