SCHEMBL18501334

SCHEMBL18501334

[2H]C1([2H])CCn2cnnc2CC1([2H])[2H]

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.66
DRD4 P21917 1/20 0.32

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
SCHEMBL18501325 0.89 PDPK1 (0.71) PDPK1DRD4
SCHEMBL18501335 0.85 PDPK1 (0.66) PDPK1DRD4
SCHEMBL18501331 0.85 PDPK1 (0.50) PDPK1
SCHEMBL18501362 0.85 PDPK1 (0.60) PDPK1
SCHEMBL348289 0.81
SCHEMBL18501324 0.81 PDPK1 (0.71) PDPK1DRD4
SCHEMBL16253565 0.81 PDPK1 (0.71) PDPK1DRD4
SCHEMBL6850314 0.79
SCHEMBL18501361 0.78 PDPK1 (0.47) PDPK1
SCHEMBL2393815 0.78 PDPK1 (0.96) PDPK1DRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044165-A1 PENTYLENETETRAZOLE DERIVATIVES EMORY UNIVERSITY 2017-02-16 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-20170044165-A1 PENTYLENETETRAZOLE DERIVATIVES SENP7, ACHE, CHRNA9 PDPK1 3260/4885DRD4 52/4885

“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.