SCHEMBL13499604

SCHEMBL13499604

CN1CCN(Cc2cc3ccccc3s2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.57
DRD2 P14416 2/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
HRH4 Q9H3N8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC6A4 P31645 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CYP2A6 P11509 3/20 0.49
ADRB2 P07550 1/20 0.49
ASIC3 Q9UHC3 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
MC4R P32245 1/20 0.49
CHKA P35790 1/20 0.48
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45

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
SCHEMBL10238584 0.84 FAAH (0.56) FAAHDRD2DRD4DRD3SLC6A4
SCHEMBL6231136 0.81 LMNA (0.50) FAAHDRD2DRD4DRD3HRH4
SCHEMBL3637273 0.80 FAAH (0.73) FAAHDRD2DRD4DRD3HRH4
SCHEMBL4825032 0.77 DRD4 (0.60) FAAHDRD2DRD4DRD3KDM4E
SCHEMBL4823127 0.76 KDM4E (0.62) FAAHDRD2DRD4DRD3KDM4E
SCHEMBL4822228 0.76 DRD4 (0.50) FAAHDRD2DRD4DRD3KDM4E
SCHEMBL15084320 0.75 DRD2 (0.54) FAAHDRD2DRD4DRD3KDM4E
SCHEMBL3609455 0.74 FAAH (1.00) FAAHDRD2DRD4DRD3KDM4E
SCHEMBL17367289 0.74 SIGMAR1 (0.57) DRD2DRD4DRD3
SCHEMBL6696545 0.73 DRD2 (0.50) DRD2KDM4ESLC6A4CYP2A6ADRB2

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 FAAH 2354/4885DRD2 42/4885DRD4 89/4885

“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.