SCHEMBL13223488

SCHEMBL13223488

CNC1CCC(N)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.53
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49

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
SCHEMBL6924410 0.80 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL16421257 0.78 PDPK1 (0.55) PDPK1SLC6A2SLC6A4SLC6A3
SCHEMBL8253156 0.78 PDPK1 (0.55) PDPK1SLC6A2SLC6A4SLC6A3
SCHEMBL2581504 0.76 PDPK1 (0.53) PDPK1SLC6A2SLC6A4SLC6A3
SCHEMBL2402634 0.76 PDPK1 (0.53) PDPK1SLC6A2SLC6A4SLC6A3
SCHEMBL2578485 0.76 PDPK1 (0.53) PDPK1SLC6A2SLC6A4SLC6A3
SCHEMBL13223489 0.73 PDPK1 (0.50) PDPK1SLC6A2SLC6A4SLC6A3
Tametraline SCHEMBL11694846 0.73 — —
Tametraline SCHEMBL1237910 0.73 — —
Tametraline SCHEMBL4619211 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 — — US disclosed
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 — — US disclosed
WO-2007013673-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-02-01 — — WO 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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN PDPK1 1125/4885SLC6A2 4656/4885SLC6A4 3754/4885

“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.

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