SCHEMBL13499489

SCHEMBL13499489

O=C(Cn1ccn(CC2CCN(CCOc3ccccc3)CC2)c1=O)Nc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.55
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
DRD2 P14416 2/20 0.46
CACNA1G O43497 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
DRD4 P21917 1/20 0.44

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 0.84 TMEM97 (0.53) KCNA5HTR1AHTR7DRD2
SCHEMBL13633486 0.79 KCNA5 (0.51) KCNA5HTR1AHTR7DRD2CACNA1G
SCHEMBL13499320 0.79 LTA4H (0.50) KCNA5HTR7DRD2
SCHEMBL13499362 0.71 HTR1A (0.50) HTR1AHTR7DRD2
SCHEMBL13499437 0.69 TMEM97 (0.47) HTR1AHTR7DRD2
SCHEMBL9195309 0.69 HTR7 (0.53) HTR1AHTR7DRD2CACNA1G
SCHEMBL5943705 0.69 TMEM97 (0.71) SMN1; SMN2ALDH1A1
SCHEMBL13499492 0.69 HRH3 (0.48) LMNAALDH1A1
SCHEMBL6300904 0.68 CCR3 (0.62) LMNA
SCHEMBL8693002 0.68 HTR7 (0.60) KCNA5HTR1AHTR7

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 991/4885HTR1A 155/4885HTR7 306/4885

“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.