SCHEMBL13499320

SCHEMBL13499320

CCOC(=O)Cn1ccn(CC2CCN(CCOc3ccccc3)CC2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.50
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
KDM4E B2RXH2 3/20 0.45
KCNA5 P22460 2/20 0.44
KCNH2 Q12809 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR7 P34969 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL13499322 0.88 TMEM97 (0.53) LTA4HTMEM97SIGMAR1KDM4EKCNA5
SCHEMBL13499489 0.79 KCNA5 (0.55) KCNA5HTR7DRD2
SCHEMBL7137971 0.77 LTA4H (0.58) LTA4HTMEM97SIGMAR1KDM4EKCNH2
SCHEMBL13499437 0.74 TMEM97 (0.47) LTA4HTMEM97SIGMAR1KCNH2HTR7
SCHEMBL13499362 0.74 HTR1A (0.50) LTA4HTMEM97SIGMAR1KDM4EKCNH2
SCHEMBL14204682 0.74 LTA4H (0.83) LTA4HKCNH2HRH3
SCHEMBL13499492 0.72 HRH3 (0.48) LTA4HTMEM97SIGMAR1KDM4EKCNH2
SCHEMBL7399430 0.71 TMEM97 (0.63) LTA4HTMEM97SIGMAR1KDM4ENPSR1
SCHEMBL8693002 0.71 HTR7 (0.60) LTA4HTMEM97SIGMAR1KDM4EKCNA5
SCHEMBL7139525 0.70 LTA4H (0.80) LTA4HKCNH2HRH3

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 LTA4H 3480/4885TMEM97 139/4885SIGMAR1 58/4885

“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.