SCHEMBL13499259

SCHEMBL13499259

O=Cc1ccc(-n2cnn(CC3CCN(CCOc4ccccc4)CC3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
LTA4H P09960 7/20 0.43
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
KCNH2 Q12809 4/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
MCHR1 Q99705 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAOB P27338 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL13499258 0.89 HTR1A (0.48) TMEM97SIGMAR1LTA4HCHRM2CHRM3
SCHEMBL13499473 0.87 KDM1A (0.49) TMEM97SIGMAR1LTA4HCHRM2CHRM3
SCHEMBL13499332 0.85 TMEM97 (0.47) TMEM97SIGMAR1LTA4HCHRM2CHRM3
SCHEMBL13499437 0.83 TMEM97 (0.47) TMEM97SIGMAR1LTA4HCHRM2CHRM3
SCHEMBL13499470 0.82 TMEM97 (0.40) TMEM97SIGMAR1LTA4HCHRM2CHRM3
SCHEMBL13499369 0.81 HTR1A (0.48) TMEM97SIGMAR1LTA4HCHRM2CHRM3
SCHEMBL13499365 0.73 HTR1A (0.50) TMEM97SIGMAR1LTA4HCHRM2CHRM3
SCHEMBL13633427 0.73 HTR1A (0.45) LTA4HHTR1AHTR7KCNH2DRD2
SCHEMBL13499330 0.73 HTR1A (0.49) TMEM97SIGMAR1LTA4HCHRM2CHRM3
SCHEMBL13499337 0.73 KCNA5 (0.47) TMEM97SIGMAR1LTA4HCHRM2CHRM3

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 58/4885LTA4H 3480/4885

“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.