SCHEMBL13499460

SCHEMBL13499460

NCc1ccc(Cn2cnn(C3CCN(CCOc4ccccc4)CC3)c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
KCNH2 Q12809 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
LTA4H P09960 9/20 0.44
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL13499351 0.77 LTA4H (0.46) TMEM97SIGMAR1CHRM1DRD2KCNH2
SCHEMBL13499365 0.74 HTR1A (0.50) TMEM97SIGMAR1CHRM1DRD2KCNH2
SCHEMBL13499337 0.73 KCNA5 (0.47) TMEM97SIGMAR1CHRM1DRD2KCNH2
SCHEMBL13499465 0.70 MAPT (0.48) TMEM97SIGMAR1CHRM1DRD2KCNH2
SCHEMBL30642855 0.69 HPGD (0.43) DRD2KCNH2
SCHEMBL13499343 0.69 LTA4H (0.46) CHRM1DRD2KCNH2CHRM2CHRM3
SCHEMBL6943925 0.68 TMEM97 (0.68) TMEM97SIGMAR1LTA4HHRH3HTR1A
SCHEMBL8109834 0.68 TMEM97 (0.68) TMEM97SIGMAR1LTA4HHRH3HTR1A
SCHEMBL3571383 0.67 TMEM97 (0.71) TMEM97SIGMAR1LTA4HHTR1AHTR7
SCHEMBL25369516 0.66 GPBAR1 (0.41) DRD2CHRM2CHRM3KMT2A

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 TMEM97 139/4885SIGMAR1 58/4885CHRM1 46/4885

“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.