SCHEMBL13499258

SCHEMBL13499258

O=c1n(-c2ccc(Br)cc2)cnn1CC1CCN(CCOc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.48
HTR7 P34969 7/20 0.48
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
KDM1A O60341 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
LTA4H P09960 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KCNH2 Q12809 3/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MCHR1 Q99705 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL13499369 0.91 HTR1A (0.48) HTR1AHTR7TMEM97SIGMAR1KDM1A
SCHEMBL13499259 0.89 TMEM97 (0.47) HTR1AHTR7TMEM97SIGMAR1CHRM2
SCHEMBL13499473 0.88 KDM1A (0.49) HTR1AHTR7TMEM97SIGMAR1KDM1A
SCHEMBL13499365 0.84 HTR1A (0.50) HTR1AHTR7TMEM97SIGMAR1KDM1A
SCHEMBL13499330 0.83 HTR1A (0.49) HTR1AHTR7TMEM97SIGMAR1KDM1A
SCHEMBL13499470 0.82 TMEM97 (0.40) HTR1AHTR7TMEM97SIGMAR1KDM1A
SCHEMBL13499362 0.82 HTR1A (0.50) HTR1AHTR7TMEM97SIGMAR1KDM1A
SCHEMBL13499273 0.75 DRD4 (0.46) HTR1ADRD2
SCHEMBL13499332 0.74 TMEM97 (0.47) HTR1AHTR7TMEM97SIGMAR1CHRM2
SCHEMBL13499337 0.73 KCNA5 (0.47) TMEM97SIGMAR1CHRM2CHRM3LTA4H

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 HTR1A 155/4885HTR7 306/4885TMEM97 139/4885

“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.